Jens Meiler

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Publications

The following timeline graph is generated from all co-authored publications.

Featured publications are shown below:

  1. Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations. Huang H, Kuenze G, Smith JA, Taylor KC, Duran AM, Hadziselimovic A, Meiler J, Vanoye CG, George AL, Sanders CR (2018) Sci Adv 4(3): eaar2631
    › Primary publication · 29532034 (PubMed) · PMC5842040 (PubMed Central)
  2. Integrated Structural Biology for α-Helical Membrane Protein Structure Determination. Xia Y, Fischer AW, Teixeira P, Weiner B, Meiler J (2018) Structure 26(4): 657-666.e2
    › Primary publication · 29526436 (PubMed) · PMC5884713 (PubMed Central)
  3. Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures. Sivley RM, Dou X, Meiler J, Bush WS, Capra JA (2018) Am J Hum Genet 102(3): 415-426
    › Primary publication · 29455857 (PubMed) · PMC5985282 (PubMed Central)
  4. Integrating linear optimization with structural modeling to increase HIV neutralization breadth. Sevy AM, Panda S, Crowe JE, Meiler J, Vorobeychik Y (2018) PLoS Comput Biol 14(2): e1005999
    › Primary publication · 29451898 (PubMed) · PMC5833279 (PubMed Central)
  5. Improved Folding of the Y G Protein-Coupled Receptor into Bicelles. Schmidt P, Bender BJ, Kaiser A, Gulati K, Scheidt HA, Hamm HE, Meiler J, Beck-Sickinger AG, Huster D (2017) Front Mol Biosci : 100
    › Primary publication · 29387686 (PubMed) · PMC5776092 (PubMed Central)
  6. Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia. Sivley RM, Sheehan JH, Kropski JA, Cogan J, Blackwell TS, Phillips JA, Bush WS, Meiler J, Capra JA (2018) BMC Bioinformatics 19(1): 18
    › Primary publication · 29361909 (PubMed) · PMC5781290 (PubMed Central)
  7. The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Joedicke L, Mao J, Kuenze G, Reinhart C, Kalavacherla T, Jonker HRA, Richter C, Schwalbe H, Meiler J, Preu J, Michel H, Glaubitz C (2018) Nat Chem Biol 14(3): 284-290
    › Primary publication · 29334381 (PubMed)
  8. The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding. King LB, Fusco ML, Flyak AI, Ilinykh PA, Huang K, Gunn B, Kirchdoerfer RN, Hastie KM, Sangha AK, Meiler J, Alter G, Bukreyev A, Crowe JE, Saphire EO (2018) Cell Host Microbe 23(1): 101-109.e4
    › Primary publication · 29324225 (PubMed) · PMC5772738 (PubMed Central)
  9. Identification of a ubiquitin-binding interface using Rosetta and DEER. Tessmer MH, Anderson DM, Pickrum AM, Riegert MO, Moretti R, Meiler J, Feix JB, Frank DW (2018) Proc Natl Acad Sci U S A 115(3): 525-530
    › Primary publication · 29295930 (PubMed) · PMC5776994 (PubMed Central)
  10. Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review. Fu DY, Meiler J (2018) J Chem Inf Model 58(2): 225-233
    › Primary publication · 29286651 (PubMed)
  11. C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3K Inhibitors. Croessmann S, Sheehan JH, Lee KM, Sliwoski G, He J, Nagy R, Riddle D, Mayer IA, Balko JM, Lanman R, Miller VA, Cantley LC, Meiler J, Arteaga CL (2018) Clin Cancer Res 24(6): 1426-1435
    › Primary publication · 29284706 (PubMed) · PMC5856622 (PubMed Central)
  12. Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells. Lis C, Rubner S, Roatsch M, Berg A, Gilcrest T, Fu D, Nguyen E, Schmidt AM, Krautscheid H, Meiler J, Berg T (2017) Sci Rep 7(1): 17390
    › Primary publication · 29234062 (PubMed) · PMC5727211 (PubMed Central)
  13. Consensus queries in ligand-based virtual screening experiments. Berenger F, Vu O, Meiler J (2017) J Cheminform 9(1): 60
    › Primary publication · 29185065 (PubMed) · PMC5705545 (PubMed Central)
  14. Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein. Sangha AK, Dong J, Williamson L, Hashiguchi T, Saphire EO, Crowe JE, Meiler J (2017) Structure 25(12): 1820-1828.e2
    › Primary publication · 29153506 (PubMed) · PMC5718948 (PubMed Central)
  15. Computational design of membrane proteins using RosettaMembrane. Duran AM, Meiler J (2018) Protein Sci 27(1): 341-355
    › Primary publication · 29090504 (PubMed) · PMC5734395 (PubMed Central)
  16. Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance. Li B, Mendenhall JL, Kroncke BM, Taylor KC, Huang H, Smith DK, Vanoye CG, Blume JD, George AL, Sanders CR, Meiler J (2017) Circ Cardiovasc Genet 10(5)
    › Primary publication · 29021305 (PubMed) · PMC5679743 (PubMed Central)
  17. Finding the needle in the haystack: towards solving the protein-folding problem computationally. Li B, Fooksa M, Heinze S, Meiler J (2018) Crit Rev Biochem Mol Biol 53(1): 1-28
    › Primary publication · 28976219 (PubMed)
  18. Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE). Moretti R, Lyskov S, Das R, Meiler J, Gray JJ (2018) Protein Sci 27(1): 259-268
    › Primary publication · 28960691 (PubMed) · PMC5734271 (PubMed Central)
  19. Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles. Kothiwale S, Borza C, Pozzi A, Meiler J (2017) Molecules 22(9)
    › Primary publication · 28925954 (PubMed) · PMC6151389 (PubMed Central)
  20. Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus. Voehler M, Ashoka MA, Meiler J, Bock PE (2017) Biomol NMR Assign 11(2): 243-249
    › Primary publication · 28819722 (PubMed) · PMC6057470 (PubMed Central)
  21. Identification and Characterization of the First Selective Y Receptor Positive Allosteric Modulator. Schubert M, Stichel J, Du Y, Tough IR, Sliwoski G, Meiler J, Cox HM, Weaver CD, Beck-Sickinger AG (2017) J Med Chem 60(17): 7605-7612
    › Primary publication · 28795803 (PubMed)
  22. Structure and Dynamics of Type III Secretion Effector Protein ExoU As determined by SDSL-EPR Spectroscopy in Conjunction with De Novo Protein Folding. Fischer AW, Anderson DM, Tessmer MH, Frank DW, Feix JB, Meiler J (2017) ACS Omega 2(6): 2977-2984
    › Primary publication · 28691114 (PubMed) · PMC5494639 (PubMed Central)
  23. Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590. Kharade SV, Sheehan JH, Figueroa EE, Meiler J, Denton JS (2017) Mol Pharmacol 92(3): 338-346
    › Primary publication · 28619748 (PubMed) · PMC5553192 (PubMed Central)
  24. Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning. Teixeira PL, Mendenhall JL, Heinze S, Weiner B, Skwark MJ, Meiler J (2017) PLoS One 12(5): e0177866
    › Primary publication · 28542325 (PubMed) · PMC5443516 (PubMed Central)
  25. Prostaglandin E glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y. Brüser A, Zimmermann A, Crews BC, Sliwoski G, Meiler J, König GM, Kostenis E, Lede V, Marnett LJ, Schöneberg T (2017) Sci Rep 7(1): 2380
    › Primary publication · 28539604 (PubMed) · PMC5443783 (PubMed Central)
  26. Molecular dissection of effector mechanisms of RAS-mediated resistance to anti-EGFR antibody therapy. Kasper S, Reis H, Ziegler S, Nothdurft S, Mueller A, Goetz M, Wiesweg M, Phasue J, Ting S, Wieczorek S, Even A, Worm K, Pogorzelski M, Breitenbuecher S, Meiler J, Paul A, Trarbach T, Schmid KW, Breitenbuecher F, Schuler M (2017) Oncotarget 8(28): 45898-45917
    › Primary publication · 28507280 (PubMed) · PMC5542236 (PubMed Central)
  27. An Acquired Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer. Hanker AB, Brewer MR, Sheehan JH, Koch JP, Sliwoski GR, Nagy R, Lanman R, Berger MF, Hyman DM, Solit DB, He J, Miller V, Cutler RE, Lalani AS, Cross D, Lovly CM, Meiler J, Arteaga CL (2017) Cancer Discov 7(6): 575-585
    › Primary publication · 28274957 (PubMed) · PMC5457707 (PubMed Central)
  28. Improving prediction of helix-helix packing in membrane proteins using predicted contact numbers as restraints. Li B, Mendenhall J, Nguyen ED, Weiner BE, Fischer AW, Meiler J (2017) Proteins 85(7): 1212-1221
    › Primary publication · 28263405 (PubMed) · PMC5476507 (PubMed Central)
  29. Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis. Borza CM, Su Y, Tran TL, Yu L, Steyns N, Temple KJ, Skwark MJ, Meiler J, Lindsley CW, Hicks BR, Leitinger B, Zent R, Pozzi A (2017) Matrix Biol : 258-271
    › Primary publication · 27915093 (PubMed) · PMC5329129 (PubMed Central)
  30. A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y R Antagonists. Burkert K, Zellmann T, Meier R, Kaiser A, Stichel J, Meiler J, Mittapalli GK, Roberts E, Beck-Sickinger AG (2017) ChemMedChem 12(1): 75-85
    › Primary publication · 27874262 (PubMed)
  31. Evaluation of TSPO PET Ligands [F]VUIIS1009A and [F]VUIIS1009B: Tracers for Cancer Imaging. Tang D, Li J, Buck JR, Tantawy MN, Xia Y, Harp JM, Nickels ML, Meiler J, Manning HC (2017) Mol Imaging Biol 19(4): 578-588
    › Primary publication · 27853987 (PubMed) · PMC5634614 (PubMed Central)
  32. bcl::Cluster : A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System. Alexander N, Woetzel N, Meiler J (2011) IEEE Int Conf Comput Adv Bio Med Sci : 13-18
    › Primary publication · 27818847 (PubMed) · PMC5091839 (PubMed Central)
  33. Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein. Mousa JJ, Sauer MF, Sevy AM, Finn JA, Bates JT, Alvarado G, King HG, Loerinc LB, Fong RH, Doranz BJ, Correia BE, Kalyuzhniy O, Wen X, Jardetzky TS, Schief WR, Ohi MD, Meiler J, Crowe JE (2016) Proc Natl Acad Sci U S A 113(44): E6849-E6858
    › Primary publication · 27791117 (PubMed) · PMC5098655 (PubMed Central)
  34. Improved prediction of trans-membrane spans in proteins using an Artificial Neural Network. Koehler J, Mueller R, Meiler J (2009) IEEE Symp Comput Intell Bioinforma Comput Biol Proc : 68-74
    › Primary publication · 27747315 (PubMed) · PMC5065243 (PubMed Central)
  35. Structural basis for KCNE3 modulation of potassium recycling in epithelia. Kroncke BM, Van Horn WD, Smith J, Kang C, Welch RC, Song Y, Nannemann DP, Taylor KC, Sisco NJ, George AL, Meiler J, Vanoye CG, Sanders CR (2016) Sci Adv 2(9): e1501228
    › Primary publication · 27626070 (PubMed) · PMC5017827 (PubMed Central)
  36. Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability. Kroncke BM, Duran AM, Mendenhall JL, Meiler J, Blume JD, Sanders CR (2016) Biochemistry 55(36): 5002-9
    › Primary publication · 27564391 (PubMed) · PMC5024705 (PubMed Central)
  37. Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes. Geanes AR, Cho HP, Nance KD, McGowan KM, Conn PJ, Jones CK, Meiler J, Lindsley CW (2016) Bioorg Med Chem Lett 26(18): 4487-4491
    › Primary publication · 27503678 (PubMed) · PMC4996684 (PubMed Central)
  38. Protocols for Molecular Modeling with Rosetta3 and RosettaScripts. Bender BJ, Cisneros A, Duran AM, Finn JA, Fu D, Lokits AD, Mueller BK, Sangha AK, Sauer MF, Sevy AM, Sliwoski G, Sheehan JH, DiMaio F, Meiler J, Moretti R (2016) Biochemistry 55(34): 4748-63
    › Primary publication · 27490953 (PubMed) · PMC5007558 (PubMed Central)
  39. A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor. Kaya AI, Lokits AD, Gilbert JA, Iverson TM, Meiler J, Hamm HE (2016) J Biol Chem 291(37): 19674-86
    › Primary publication · 27462082 (PubMed) · PMC5016700 (PubMed Central)
  40. Discovery of Small-Molecule Modulators of the Human Y4 Receptor. Sliwoski G, Schubert M, Stichel J, Weaver D, Beck-Sickinger AG, Meiler J (2016) PLoS One 11(6): e0157146
    › Primary publication · 27294784 (PubMed) · PMC4905667 (PubMed Central)
  41. A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1. Nnamani MC, Ganguly S, Erkenbrack EM, Lynch VJ, Mizoue LS, Tong Y, Darling HL, Fuxreiter M, Meiler J, Wagner GP (2016) Cell Rep 15(10): 2097-2108
    › Primary publication · 27239043 (PubMed)
  42. ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels. Swale DR, Kurata H, Kharade SV, Sheehan J, Raphemot R, Voigtritter KR, Figueroa EE, Meiler J, Blobaum AL, Lindsley CW, Hopkins CR, Denton JS (2016) ACS Chem Neurosci 7(7): 1013-23
    › Primary publication · 27184474 (PubMed) · PMC5131535 (PubMed Central)
  43. Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints. Finn JA, Koehler Leman J, Willis JR, Cisneros A, Crowe JE, Meiler J (2016) PLoS One 11(5): e0154811
    › Primary publication · 27182833 (PubMed) · PMC4868311 (PubMed Central)
  44. The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. Figueroa M, Sleutel M, Vandevenne M, Parvizi G, Attout S, Jacquin O, Vandenameele J, Fischer AW, Damblon C, Goormaghtigh E, Valerio-Lepiniec M, Urvoas A, Durand D, Pardon E, Steyaert J, Minard P, Maes D, Meiler J, Matagne A, Martial JA, Van de Weerdt C (2016) J Struct Biol 195(1): 19-30
    › Primary publication · 27181418 (PubMed)
  45. Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX. Fischer AW, Bordignon E, Bleicken S, García-Sáez AJ, Jeschke G, Meiler J (2016) J Struct Biol 195(1): 62-71
    › Primary publication · 27129417 (PubMed) · PMC4912045 (PubMed Central)
  46. Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation. Schaarschmidt J, Nagel MB, Huth S, Jaeschke H, Moretti R, Hintze V, von Bergen M, Kalkhof S, Meiler J, Paschke R (2016) J Biol Chem 291(27): 14095-108
    › Primary publication · 27129207 (PubMed) · PMC4933169 (PubMed Central)
  47. EGFR Fusions as Novel Therapeutic Targets in Lung Cancer. Konduri K, Gallant JN, Chae YK, Giles FJ, Gitlitz BJ, Gowen K, Ichihara E, Owonikoko TK, Peddareddigari V, Ramalingam SS, Reddy SK, Eaby-Sandy B, Vavalà T, Whiteley A, Chen H, Yan Y, Sheehan JH, Meiler J, Morosini D, Ross JS, Stephens PJ, Miller VA, Ali SM, Lovly CM (2016) Cancer Discov 6(6): 601-11
    › Primary publication · 27102076 (PubMed) · PMC4893907 (PubMed Central)
  48. Rosetta and the Design of Ligand Binding Sites. Moretti R, Bender BJ, Allison B, Meiler J (2016) Methods Mol Biol : 47-62
    › Primary publication · 27094285 (PubMed) · PMC5511788 (PubMed Central)
  49. CASP11--An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline. Fischer AW, Heinze S, Putnam DK, Li B, Pino JC, Xia Y, Lopez CF, Meiler J (2016) PLoS One 11(4): e0152517
    › Primary publication · 27046050 (PubMed) · PMC4821492 (PubMed Central)
  50. Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization. Willis JR, Finn JA, Briney B, Sapparapu G, Singh V, King H, LaBranche CC, Montefiori DC, Meiler J, Crowe JE (2016) Proc Natl Acad Sci U S A 113(16): 4446-51
    › Primary publication · 27044078 (PubMed) · PMC4843476 (PubMed Central)
  51. Origin and prediction of free-solution interaction studies performed label-free. Bornhop DJ, Kammer MN, Kussrow A, Flowers RA, Meiler J (2016) Proc Natl Acad Sci U S A 113(12): E1595-604
    › Primary publication · 26960999 (PubMed) · PMC4812771 (PubMed Central)
  52. Structure and mechanism of the phage T4 recombination mediator protein UvsY. Gajewski S, Waddell MB, Vaithiyalingam S, Nourse A, Li Z, Woetzel N, Alexander N, Meiler J, White SW (2016) Proc Natl Acad Sci U S A 113(12): 3275-80
    › Primary publication · 26951671 (PubMed) · PMC4812704 (PubMed Central)
  53. Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout. Mendenhall J, Meiler J (2016) J Comput Aided Mol Des 30(2): 177-89
    › Primary publication · 26830599 (PubMed) · PMC4798928 (PubMed Central)
  54. Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins. Li B, Mendenhall J, Nguyen ED, Weiner BE, Fischer AW, Meiler J (2016) J Chem Inf Model 56(2): 423-34
    › Primary publication · 26804342 (PubMed) · PMC5537626 (PubMed Central)
  55. Protonation-dependent conformational dynamics of the multidrug transporter EmrE. Dastvan R, Fischer AW, Mishra S, Meiler J, Mchaourab HS (2016) Proc Natl Acad Sci U S A 113(5): 1220-5
    › Primary publication · 26787875 (PubMed) · PMC4747756 (PubMed Central)
  56. Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions. Krug U, Alexander NS, Stein RA, Keim A, Mchaourab HS, Sträter N, Meiler J (2016) Structure 24(1): 43-56
    › Primary publication · 26724996 (PubMed) · PMC4706771 (PubMed Central)
  57. Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign. Sliwoski G, Mendenhall J, Meiler J (2016) J Comput Aided Mol Des 30(3): 209-17
    › Primary publication · 26721261 (PubMed) · PMC4803518 (PubMed Central)
  58. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers. Vandavasi VG, Putnam DK, Zhang Q, Petridis L, Heller WT, Nixon BT, Haigler CH, Kalluri U, Coates L, Langan P, Smith JC, Meiler J, O'Neill H (2016) Plant Physiol 170(1): 123-35
    › Primary publication · 26556795 (PubMed) · PMC4704586 (PubMed Central)
  59. BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library. Kothiwale S, Mendenhall JL, Meiler J (2015) J Cheminform : 47
    › Primary publication · 26473018 (PubMed) · PMC4607025 (PubMed Central)
  60. EGFR Kinase Domain Duplication (EGFR-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib. Gallant JN, Sheehan JH, Shaver TM, Bailey M, Lipson D, Chandramohan R, Red Brewer M, York SJ, Kris MG, Pietenpol JA, Ladanyi M, Miller VA, Ali SM, Meiler J, Lovly CM (2015) Cancer Discov 5(11): 1155-63
    › Primary publication · 26286086 (PubMed) · PMC4631701 (PubMed Central)
  61. Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand. DeLuca S, Khar K, Meiler J (2015) PLoS One 10(7): e0132508
    › Primary publication · 26207742 (PubMed) · PMC4514752 (PubMed Central)
  62. Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences. Sevy AM, Jacobs TM, Crowe JE, Meiler J (2015) PLoS Comput Biol 11(7): e1004300
    › Primary publication · 26147100 (PubMed) · PMC4493036 (PubMed Central)
  63. Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Sali A, Berman HM, Schwede T, Trewhella J, Kleywegt G, Burley SK, Markley J, Nakamura H, Adams P, Bonvin AM, Chiu W, Peraro MD, Di Maio F, Ferrin TE, Grünewald K, Gutmanas A, Henderson R, Hummer G, Iwasaki K, Johnson G, Lawson CL, Meiler J, Marti-Renom MA, Montelione GT, Nilges M, Nussinov R, Patwardhan A, Rappsilber J, Read RJ, Saibil H, Schröder GF, Schwieters CD, Seidel CA, Svergun D, Topf M, Ulrich EL, Velankar S, Westbrook JD (2015) Structure 23(7): 1156-67
    › Primary publication · 26095030 (PubMed) · PMC4933300 (PubMed Central)
  64. BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles. Putnam DK, Weiner BE, Woetzel N, Lowe EW, Meiler J (2015) Proteins 83(8): 1500-12
    › Primary publication · 26018949 (PubMed) · PMC4797635 (PubMed Central)
  65. Protein structure prediction guided by crosslinking restraints--A systematic evaluation of the impact of the crosslinking spacer length. Hofmann T, Fischer AW, Meiler J, Kalkhof S (2015) Methods : 79-90
    › Primary publication · 25986934 (PubMed) · PMC4803439 (PubMed Central)
  66. Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y₂ Receptor Binding and Activation. Kaiser A, Müller P, Zellmann T, Scheidt HA, Thomas L, Bosse M, Meier R, Meiler J, Huster D, Beck-Sickinger AG, Schmidt P (2015) Angew Chem Int Ed Engl 54(25): 7446-9
    › Primary publication · 25924821 (PubMed) · PMC5497120 (PubMed Central)
  67. Perspective on computational and structural aspects of kinase discovery from IPK2014. Martin E, Knapp S, Engh RA, Moebitz H, Varin T, Roux B, Meiler J, Berdini V, Baumann A, Vieth M (2015) Biochim Biophys Acta 1854(10 Pt B): 1595-604
    › Primary publication · 25861861 (PubMed) · PMC5105597 (PubMed Central)
  68. Personalized biochemistry and biophysics. Kroncke BM, Vanoye CG, Meiler J, George AL, Sanders CR (2015) Biochemistry 54(16): 2551-9
    › Primary publication · 25856502 (PubMed) · PMC4415889 (PubMed Central)
  69. BCL::MP-fold: Membrane protein structure prediction guided by EPR restraints. Fischer AW, Alexander NS, Woetzel N, Karakas M, Weiner BE, Meiler J (2015) Proteins 83(11): 1947-62
    › Primary publication · 25820805 (PubMed) · PMC5064833 (PubMed Central)
  70. Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin. Vortmeier G, DeLuca SH, Els-Heindl S, Chollet C, Scheidt HA, Beck-Sickinger AG, Meiler J, Huster D (2015) PLoS One 10(3): e0122444
    › Primary publication · 25803439 (PubMed) · PMC4372444 (PubMed Central)
  71. Computational and functional analyses of a small-molecule binding site in ROMK. Swale DR, Sheehan JH, Banerjee S, Husni AS, Nguyen TT, Meiler J, Denton JS (2015) Biophys J 108(5): 1094-103
    › Primary publication · 25762321 (PubMed) · PMC4375722 (PubMed Central)
  72. CASP10-BCL::Fold efficiently samples topologies of large proteins. Heinze S, Putnam DK, Fischer AW, Kohlmann T, Weiner BE, Meiler J (2015) Proteins 83(3): 547-63
    › Primary publication · 25581562 (PubMed) · PMC5563077 (PubMed Central)
  73. Genetic analysis of the localization of APOBEC3F to human immunodeficiency virus type 1 virion cores. Donahue JP, Levinson RT, Sheehan JH, Sutton L, Taylor HE, Meiler J, D'Aquila RT, Song C (2015) J Virol 89(4): 2415-24
    › Primary publication · 25505075 (PubMed) · PMC4338907 (PubMed Central)
  74. Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes. Lössl P, Kölbel K, Tänzler D, Nannemann D, Ihling CH, Keller MV, Schneider M, Zaucke F, Meiler J, Sinz A (2014) PLoS One 9(11): e112886
    › Primary publication · 25387007 (PubMed) · PMC4227867 (PubMed Central)
  75. Cellular manganese content is developmentally regulated in human dopaminergic neurons. Kumar KK, Lowe EW, Aboud AA, Neely MD, Redha R, Bauer JA, Odak M, Weaver CD, Meiler J, Aschner M, Bowman AB (2014) Sci Rep : 6801
    › Primary publication · 25348053 (PubMed) · PMC4210885 (PubMed Central)
  76. Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery. Kothiwale S, Borza CM, Lowe EW, Pozzi A, Meiler J (2015) Drug Discov Today 20(2): 255-61
    › Primary publication · 25284748 (PubMed) · PMC4336622 (PubMed Central)
  77. The homology model of PMP22 suggests mutations resulting in peripheral neuropathy disrupt transmembrane helix packing. Mittendorf KF, Kroncke BM, Meiler J, Sanders CR (2014) Biochemistry 53(39): 6139-41
    › Primary publication · 25243937 (PubMed) · PMC4188248 (PubMed Central)
  78. Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders. Conn PJ, Lindsley CW, Meiler J, Niswender CM (2014) Nat Rev Drug Discov 13(9): 692-708
    › Primary publication · 25176435 (PubMed) · PMC4208620 (PubMed Central)
  79. Position and length of fatty acids strongly affect receptor selectivity pattern of human pancreatic polypeptide analogues. Mäde V, Bellmann-Sickert K, Kaiser A, Meiler J, Beck-Sickinger AG (2014) ChemMedChem 9(11): 2463-74
    › Primary publication · 25156249 (PubMed) · PMC5518309 (PubMed Central)
  80. Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles. Margetić A, Nannemann D, Meiler J, Huster D, Theisgen S (2014) Biochim Biophys Acta 1838(11): 2767-77
    › Primary publication · 25051529 (PubMed)
  81. A conserved phenylalanine as a relay between the α5 helix and the GDP binding region of heterotrimeric Gi protein α subunit. Kaya AI, Lokits AD, Gilbert JA, Iverson TM, Meiler J, Hamm HE (2014) J Biol Chem 289(35): 24475-87
    › Primary publication · 25037222 (PubMed) · PMC4148873 (PubMed Central)
  82. A newly discovered TSHR variant (L665F) associated with nonautoimmune hyperthyroidism in an Austrian family induces constitutive TSHR activation by steric repulsion between TM1 and TM7. Jaeschke H, Schaarschmidt J, Eszlinger M, Huth S, Puttinger R, Rittinger O, Meiler J, Paschke R (2014) J Clin Endocrinol Metab 99(10): E2051-9
    › Primary publication · 24947036 (PubMed)
  83. Pyruvate formate-lyase interacts directly with the formate channel FocA to regulate formate translocation. Doberenz C, Zorn M, Falke D, Nannemann D, Hunger D, Beyer L, Ihling CH, Meiler J, Sinz A, Sawers RG (2014) J Mol Biol 426(15): 2827-39
    › Primary publication · 24887098 (PubMed) · PMC5560055 (PubMed Central)
  84. In silico analysis and experimental verification of OSR1 kinase - Peptide interaction. Austin TM, Nannemann DP, Deluca SL, Meiler J, Delpire E (2014) J Struct Biol 187(1): 58-65
    › Primary publication · 24821279 (PubMed) · PMC4082687 (PubMed Central)
  85. Reconstruction of SAXS Profiles from Protein Structures. Putnam DK, Lowe EW, Meiler J (2013) Comput Struct Biotechnol J : e201308006
    › Primary publication · 24688746 (PubMed) · PMC3962079 (PubMed Central)
  86. Inverted topologies in membrane proteins: a mini-review. Duran AM, Meiler J (2013) Comput Struct Biotechnol J : e201308004
    › Primary publication · 24688744 (PubMed) · PMC3962082 (PubMed Central)
  87. Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Wu H, Wang C, Gregory KJ, Han GW, Cho HP, Xia Y, Niswender CM, Katritch V, Meiler J, Cherezov V, Conn PJ, Stevens RC (2014) Science 344(6179): 58-64
    › Primary publication · 24603153 (PubMed) · PMC3991565 (PubMed Central)
  88. Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site. Gregory KJ, Nguyen ED, Malosh C, Mendenhall JL, Zic JZ, Bates BS, Noetzel MJ, Squire EF, Turner EM, Rook JM, Emmitte KA, Stauffer SR, Lindsley CW, Meiler J, Conn PJ (2014) ACS Chem Neurosci 5(4): 282-95
    › Primary publication · 24528109 (PubMed) · PMC3990945 (PubMed Central)
  89. Computational methods in drug discovery. Sliwoski G, Kothiwale S, Meiler J, Lowe EW (2014) Pharmacol Rev 66(1): 334-95
    › Primary publication · 24381236 (PubMed) · PMC3880464 (PubMed Central)
  90. Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket. Pedragosa-Badia X, Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG (2014) J Biol Chem 289(9): 5846-59
    › Primary publication · 24375409 (PubMed) · PMC3937655 (PubMed Central)
  91. Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions. Crivelli JJ, Lemmon G, Kaufmann KW, Meiler J (2013) J Comput Aided Mol Des 27(12): 1051-65
    › Primary publication · 24305904 (PubMed) · PMC3909503 (PubMed Central)
  92. Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release. Alexander NS, Preininger AM, Kaya AI, Stein RA, Hamm HE, Meiler J (2014) Nat Struct Mol Biol 21(1): 56-63
    › Primary publication · 24292645 (PubMed) · PMC3947367 (PubMed Central)
  93. BCL::Fold--protein topology determination from limited NMR restraints. Weiner BE, Alexander N, Akin LR, Woetzel N, Karakas M, Meiler J (2014) Proteins 82(4): 587-95
    › Primary publication · 24123100 (PubMed) · PMC3949166 (PubMed Central)
  94. Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254). Turlington M, Noetzel MJ, Chun A, Zhou Y, Gogliotti RD, Nguyen ED, Gregory KJ, Vinson PN, Rook JM, Gogi KK, Xiang Z, Bridges TM, Daniels JS, Jones C, Niswender CM, Meiler J, Conn PJ, Lindsley CW, Stauffer SR (2013) J Med Chem 56(20): 7976-96
    › Primary publication · 24050755 (PubMed) · PMC3908770 (PubMed Central)
  95. RosettaEPR: rotamer library for spin label structure and dynamics. Alexander NS, Stein RA, Koteiche HA, Kaufmann KW, McHaourab HS, Meiler J (2013) PLoS One 8(9): e72851
    › Primary publication · 24039810 (PubMed) · PMC3764097 (PubMed Central)
  96. Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses. Thornburg NJ, Nannemann DP, Blum DL, Belser JA, Tumpey TM, Deshpande S, Fritz GA, Sapparapu G, Krause JC, Lee JH, Ward AB, Lee DE, Li S, Winarski KL, Spiller BW, Meiler J, Crowe JE (2013) J Clin Invest 123(10): 4405-9
    › Primary publication · 23999429 (PubMed) · PMC3784541 (PubMed Central)
  97. Octarellin VI: using rosetta to design a putative artificial (β/α)8 protein. Figueroa M, Oliveira N, Lejeune A, Kaufmann KW, Dorr BM, Matagne A, Martial JA, Meiler J, Van de Weerdt C (2013) PLoS One 8(8): e71858
    › Primary publication · 23977165 (PubMed) · PMC3747059 (PubMed Central)
  98. Computational design of protein-small molecule interfaces. Allison B, Combs S, DeLuca S, Lemmon G, Mizoue L, Meiler J (2014) J Struct Biol 185(2): 193-202
    › Primary publication · 23962892 (PubMed) · PMC3946393 (PubMed Central)
  99. Iterative Molecular Dynamics-Rosetta Protein Structure Refinement Protocol to Improve Model Quality. Lindert S, Meiler J, McCammon JA (2013) J Chem Theory Comput 9(8): 3843-3847
    › Primary publication · 23956701 (PubMed) · PMC3744128 (PubMed Central)
  100. Characterization and modeling of the oligomeric state and ligand binding behavior of purified translocator protein 18 kDa from Rhodobacter sphaeroides. Li F, Xia Y, Meiler J, Ferguson-Miller S (2013) Biochemistry 52(34): 5884-99
    › Primary publication · 23952237 (PubMed) · PMC3756528 (PubMed Central)
  101. Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors. Nguyen ED, Norn C, Frimurer TM, Meiler J (2013) PLoS One 8(7): e67302
    › Primary publication · 23844000 (PubMed) · PMC3699586 (PubMed Central)
  102. Towards ligand docking including explicit interface water molecules. Lemmon G, Meiler J (2013) PLoS One 8(6): e67536
    › Primary publication · 23840735 (PubMed) · PMC3695863 (PubMed Central)
  103. Small-molecule ligand docking into comparative models with Rosetta. Combs SA, Deluca SL, Deluca SH, Lemmon GH, Nannemann DP, Nguyen ED, Willis JR, Sheehan JH, Meiler J (2013) Nat Protoc 8(7): 1277-98
    › Primary publication · 23744289 (PubMed) · PMC5750396 (PubMed Central)
  104. BCL::MP-fold: folding membrane proteins through assembly of transmembrane helices. Weiner BE, Woetzel N, Karakaş M, Alexander N, Meiler J (2013) Structure 21(7): 1107-17
    › Primary publication · 23727232 (PubMed) · PMC3738745 (PubMed Central)
  105. Human rotavirus VP6-specific antibodies mediate intracellular neutralization by binding to a quaternary structure in the transcriptional pore. Aiyegbo MS, Sapparapu G, Spiller BW, Eli IM, Williams DR, Kim R, Lee DE, Liu T, Li S, Woods VL, Nannemann DP, Meiler J, Stewart PL, Crowe JE (2013) PLoS One 8(5): e61101
    › Primary publication · 23671563 (PubMed) · PMC3650007 (PubMed Central)
  106. Human germline antibody gene segments encode polyspecific antibodies. Willis JR, Briney BS, DeLuca SL, Crowe JE, Meiler J (2013) PLoS Comput Biol 9(4): e1003045
    › Primary publication · 23637590 (PubMed) · PMC3636087 (PubMed Central)
  107. Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective. Preininger AM, Meiler J, Hamm HE (2013) J Mol Biol 425(13): 2288-98
    › Primary publication · 23602809 (PubMed) · PMC3686903 (PubMed Central)
  108. Probing the metabotropic glutamate receptor 5 (mGlu₅) positive allosteric modulator (PAM) binding pocket: discovery of point mutations that engender a "molecular switch" in PAM pharmacology. Gregory KJ, Nguyen ED, Reiff SD, Squire EF, Stauffer SR, Lindsley CW, Meiler J, Conn PJ (2013) Mol Pharmacol 83(5): 991-1006
    › Primary publication · 23444015 (PubMed) · PMC3629835 (PubMed Central)
  109. The activity of prolactin releasing peptide correlates with its helicity. Deluca SH, Rathmann D, Beck-Sickinger AG, Meiler J (2013) Biopolymers 99(5): 314-25
    › Primary publication · 23426574 (PubMed) · PMC3580954 (PubMed Central)
  110. Simultaneous prediction of protein secondary structure and transmembrane spans. Leman JK, Mueller R, Karakas M, Woetzel N, Meiler J (2013) Proteins 81(7): 1127-40
    › Primary publication · 23349002 (PubMed) · PMC5064873 (PubMed Central)
  111. Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. Butkiewicz M, Lowe EW, Mueller R, Mendenhall JL, Teixeira PL, Weaver CD, Meiler J (2013) Molecules 18(1): 735-56
    › Primary publication · 23299552 (PubMed) · PMC3759399 (PubMed Central)
  112. Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs. Lindert S, Stewart PL, Meiler J (2013) Comput Biol Chem : 1-4
    › Primary publication · 23246775 (PubMed) · PMC3540162 (PubMed Central)
  113. Using RosettaLigand for small molecule docking into comparative models. Kaufmann KW, Meiler J (2012) PLoS One 7(12): e50769
    › Primary publication · 23239984 (PubMed) · PMC3519832 (PubMed Central)
  114. An allosteric mechanism for drug block of the human cardiac potassium channel KCNQ1. Yang T, Smith JA, Leake BF, Sanders CR, Meiler J, Roden DM (2013) Mol Pharmacol 83(2): 481-9
    › Primary publication · 23193163 (PubMed) · PMC3558809 (PubMed Central)
  115. BCL::Score--knowledge based energy potentials for ranking protein models represented by idealized secondary structure elements. Woetzel N, Karakaş M, Staritzbichler R, Müller R, Weiner BE, Meiler J (2012) PLoS One 7(11): e49242
    › Primary publication · 23173051 (PubMed) · PMC3500277 (PubMed Central)
  116. BCL::Fold--de novo prediction of complex and large protein topologies by assembly of secondary structure elements. Karakaş M, Woetzel N, Staritzbichler R, Alexander N, Weiner BE, Meiler J (2012) PLoS One 7(11): e49240
    › Primary publication · 23173050 (PubMed) · PMC3500284 (PubMed Central)
  117. Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12. Schmidt P, Ritscher L, Dong EN, Hermsdorf T, Cöster M, Wittkopf D, Meiler J, Schöneberg T (2013) Mol Pharmacol 83(1): 256-66
    › Primary publication · 23093496 (PubMed) · PMC3533468 (PubMed Central)
  118. Conformation of receptor-bound visual arrestin. Kim M, Vishnivetskiy SA, Van Eps N, Alexander NS, Cleghorn WM, Zhan X, Hanson SM, Morizumi T, Ernst OP, Meiler J, Gurevich VV, Hubbell WL (2012) Proc Natl Acad Sci U S A 109(45): 18407-12
    › Primary publication · 23091036 (PubMed) · PMC3494953 (PubMed Central)
  119. BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR. Sliwoski G, Lowe EW, Butkiewicz M, Meiler J (2012) Molecules 17(8): 9971-89
    › Primary publication · 22907158 (PubMed) · PMC3805266 (PubMed Central)
  120. Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter. Combs S, Kaufmann K, Field JR, Blakely RD, Meiler J (2011) ACS Chem Neurosci 2(2): 75-81
    › Primary publication · 22778858 (PubMed) · PMC3369724 (PubMed Central)
  121. Ligand-mimicking receptor variant discloses binding and activation mode of prolactin-releasing peptide. Rathmann D, Lindner D, DeLuca SH, Kaufmann KW, Meiler J, Beck-Sickinger AG (2012) J Biol Chem 287(38): 32181-94
    › Primary publication · 22778259 (PubMed) · PMC3442549 (PubMed Central)
  122. Selective mode of action of guanidine-containing non-peptides at human NPFF receptors. Findeisen M, Würker C, Rathmann D, Meier R, Meiler J, Olsson R, Beck-Sickinger AG (2012) J Med Chem 55(13): 6124-36
    › Primary publication · 22708927 (PubMed) · PMC3404467 (PubMed Central)
  123. Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators. Mueller R, Dawson ES, Niswender CM, Butkiewicz M, Hopkins CR, Weaver CD, Lindsley CW, Conn PJ, Meiler J (2012) J Mol Model 18(9): 4437-46
    › Primary publication · 22592386 (PubMed) · PMC3766737 (PubMed Central)
  124. Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects. Yang R, Shi J, Byeon IJ, Ahn J, Sheehan JH, Meiler J, Gronenborn AM, Aiken C (2012) Retrovirology : 30
    › Primary publication · 22515365 (PubMed) · PMC3351742 (PubMed Central)
  125. EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps. Lindert S, Alexander N, Wötzel N, Karakaş M, Stewart PL, Meiler J (2012) Structure 20(3): 464-78
    › Primary publication · 22405005 (PubMed) · PMC3304577 (PubMed Central)
  126. Potential of fragment recombination for rational design of proteins. Eisenbeis S, Proffitt W, Coles M, Truffault V, Shanmugaratnam S, Meiler J, Höcker B (2012) J Am Chem Soc 134(9): 4019-22
    › Primary publication · 22329686 (PubMed)
  127. Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand. Lemmon G, Kaufmann K, Meiler J (2012) Chem Biol Drug Des 79(6): 888-96
    › Primary publication · 22321894 (PubMed) · PMC3342459 (PubMed Central)
  128. Ab initio protein modeling into CryoEM density maps using EM-Fold. Lindert S, Hofmann T, Wötzel N, Karakaş M, Stewart PL, Meiler J (2012) Biopolymers 97(9): 669-77
    › Primary publication · 22302372 (PubMed) · PMC3375387 (PubMed Central)
  129. Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu₅): from an artificial neural network virtual screen to an in vivo tool compound. Mueller R, Dawson ES, Meiler J, Rodriguez AL, Chauder BA, Bates BS, Felts AS, Lamb JP, Menon UN, Jadhav SB, Kane AS, Jones CK, Gregory KJ, Niswender CM, Conn PJ, Olsen CM, Winder DG, Emmitte KA, Lindsley CW (2012) ChemMedChem 7(3): 406-14
    › Primary publication · 22267125 (PubMed) · PMC3517057 (PubMed Central)
  130. Rosetta Ligand docking with flexible XML protocols. Lemmon G, Meiler J (2012) Methods Mol Biol : 143-55
    › Primary publication · 22183535 (PubMed) · PMC3749076 (PubMed Central)
  131. Measurement of aptamer-protein interactions with back-scattering interferometry. Olmsted IR, Xiao Y, Cho M, Csordas AT, Sheehan JH, Meiler J, Soh HT, Bornhop DJ (2011) Anal Chem 83(23): 8867-70
    › Primary publication · 22032342 (PubMed)
  132. Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects. Koehler J, Meiler J (2011) Prog Nucl Magn Reson Spectrosc 59(4): 360-89
    › Primary publication · 22027343 (PubMed) · PMC3202700 (PubMed Central)
  133. Exploring symmetry as an avenue to the computational design of large protein domains. Fortenberry C, Bowman EA, Proffitt W, Dorr B, Combs S, Harp J, Mizoue L, Meiler J (2011) J Am Chem Soc 133(45): 18026-9
    › Primary publication · 21978247 (PubMed) · PMC3781211 (PubMed Central)
  134. Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system. Lebois EP, Bridges TM, Lewis LM, Dawson ES, Kane AS, Xiang Z, Jadhav SB, Yin H, Kennedy JP, Meiler J, Niswender CM, Jones CK, Conn PJ, Weaver CD, Lindsley CW (2010) ACS Chem Neurosci 1(2): 104-121
    › Primary publication · 21961051 (PubMed) · PMC3180826 (PubMed Central)
  135. Design of native-like proteins through an exposure-dependent environment potential. DeLuca S, Dorr B, Meiler J (2011) Biochemistry 50(40): 8521-8
    › Primary publication · 21905701 (PubMed) · PMC3752783 (PubMed Central)
  136. RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite. Fleishman SJ, Leaver-Fay A, Corn JE, Strauch EM, Khare SD, Koga N, Ashworth J, Murphy P, Richter F, Lemmon G, Meiler J, Baker D (2011) PLoS One 6(6): e20161
    › Primary publication · 21731610 (PubMed) · PMC3123292 (PubMed Central)
  137. A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport. Henry LK, Iwamoto H, Field JR, Kaufmann K, Dawson ES, Jacobs MT, Adams C, Felts B, Zdravkovic I, Armstrong V, Combs S, Solis E, Rudnick G, Noskov SY, DeFelice LJ, Meiler J, Blakely RD (2011) J Biol Chem 286(35): 30823-36
    › Primary publication · 21730057 (PubMed) · PMC3162443 (PubMed Central)
  138. Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit. Van Eps N, Preininger AM, Alexander N, Kaya AI, Meier S, Meiler J, Hamm HE, Hubbell WL (2011) Proc Natl Acad Sci U S A 108(23): 9420-4
    › Primary publication · 21606326 (PubMed) · PMC3111277 (PubMed Central)
  139. BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement. Woetzel N, Lindert S, Stewart PL, Meiler J (2011) J Struct Biol 175(3): 264-76
    › Primary publication · 21565271 (PubMed) · PMC3150432 (PubMed Central)
  140. Membrane protein structure determination using paramagnetic tags. Ganguly S, Weiner BE, Meiler J (2011) Structure 19(4): 441-3
    › Primary publication · 21481766 (PubMed) · PMC3754786 (PubMed Central)
  141. Computational design of an endo-1,4-beta-xylanase ligand binding site. Morin A, Kaufmann KW, Fortenberry C, Harp JM, Mizoue LS, Meiler J (2011) Protein Eng Des Sel 24(6): 503-16
    › Primary publication · 21349882 (PubMed) · PMC3092692 (PubMed Central)
  142. Computational design of protein-ligand interfaces: potential in therapeutic development. Morin A, Meiler J, Mizoue LS (2011) Trends Biotechnol 29(4): 159-66
    › Primary publication · 21295366 (PubMed) · PMC3749302 (PubMed Central)
  143. ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules. Leaver-Fay A, Tyka M, Lewis SM, Lange OF, Thompson J, Jacak R, Kaufman K, Renfrew PD, Smith CA, Sheffler W, Davis IW, Cooper S, Treuille A, Mandell DJ, Richter F, Ban YE, Fleishman SJ, Corn JE, Kim DE, Lyskov S, Berrondo M, Mentzer S, Popović Z, Havranek JJ, Karanicolas J, Das R, Meiler J, Kortemme T, Gray JJ, Kuhlman B, Baker D, Bradley P (2011) Methods Enzymol : 545-74
    › Primary publication · 21187238 (PubMed) · PMC4083816 (PubMed Central)
  144. Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination. Kazmier K, Alexander NS, Meiler J, McHaourab HS (2011) J Struct Biol 173(3): 549-57
    › Primary publication · 21074624 (PubMed) · PMC3073550 (PubMed Central)
  145. RosettaEPR: an integrated tool for protein structure determination from sparse EPR data. Hirst SJ, Alexander N, McHaourab HS, Meiler J (2011) J Struct Biol 173(3): 506-14
    › Primary publication · 21029778 (PubMed) · PMC3040274 (PubMed Central)
  146. Computational modeling of laminin N-terminal domains using sparse distance constraints from disulfide bonds and chemical cross-linking. Kalkhof S, Haehn S, Paulsson M, Smyth N, Meiler J, Sinz A (2010) Proteins 78(16): 3409-27
    › Primary publication · 20939100 (PubMed) · PMC5079110 (PubMed Central)
  147. Development of a selective small-molecule inhibitor of Kir1.1, the renal outer medullary potassium channel. Bhave G, Chauder BA, Liu W, Dawson ES, Kadakia R, Nguyen TT, Lewis LM, Meiler J, Weaver CD, Satlin LM, Lindsley CW, Denton JS (2011) Mol Pharmacol 79(1): 42-50
    › Primary publication · 20926757 (PubMed) · PMC3014278 (PubMed Central)
  148. 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators. Lowe EW, Ferrebee A, Rodriguez AL, Conn PJ, Meiler J (2010) Bioorg Med Chem Lett 20(19): 5922-4
    › Primary publication · 20732812 (PubMed) · PMC2943337 (PubMed Central)
  149. Allosteric modulation of metabotropic glutamate receptors: structural insights and therapeutic potential. Gregory KJ, Dong EN, Meiler J, Conn PJ (2011) Neuropharmacology 60(1): 66-81
    › Primary publication · 20637216 (PubMed) · PMC2981682 (PubMed Central)
  150. Unique gating properties of C. elegans ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker. Dave S, Sheehan JH, Meiler J, Strange K (2010) Channels (Austin) 4(4): 289-301
    › Primary publication · 20581474 (PubMed) · PMC3230521 (PubMed Central)
  151. Design and directed evolution of a dideoxy purine nucleoside phosphorylase. Nannemann DP, Kaufmann KW, Meiler J, Bachmann BO (2010) Protein Eng Des Sel 23(8): 607-16
    › Primary publication · 20525731 (PubMed) · PMC2898500 (PubMed Central)
  152. A physical model for PDZ-domain/peptide interactions. Kaufmann K, Shen N, Mizoue L, Meiler J (2011) J Mol Model 17(2): 315-24
    › Primary publication · 20461427 (PubMed) · PMC3029681 (PubMed Central)
  153. Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening. Mueller R, Rodriguez AL, Dawson ES, Butkiewicz M, Nguyen TT, Oleszkiewicz S, Bleckmann A, Weaver CD, Lindsley CW, Conn PJ, Meiler J (2010) ACS Chem Neurosci 1(4): 288-305
    › Primary publication · 20414370 (PubMed) · PMC2857954 (PubMed Central)
  154. Practically useful: what the Rosetta protein modeling suite can do for you. Kaufmann KW, Lemmon GH, Deluca SL, Sheehan JH, Meiler J (2010) Biochemistry 49(14): 2987-98
    › Primary publication · 20235548 (PubMed) · PMC2850155 (PubMed Central)
  155. BCL::contact-low confidence fold recognition hits boost protein contact prediction and de novo structure determination. Karakaş M, Woetzel N, Meiler J (2010) J Comput Biol 17(2): 153-68
    › Primary publication · 19772383 (PubMed) · PMC3148831 (PubMed Central)
  156. Accessing ns-micros side chain dynamics in ubiquitin with methyl RDCs. Farès C, Lakomek NA, Walter KF, Frank BT, Meiler J, Becker S, Griesinger C (2009) J Biomol NMR 45(1-2): 23-44
    › Primary publication · 19652920 (PubMed) · PMC2728246 (PubMed Central)
  157. EM-fold: De novo folding of alpha-helical proteins guided by intermediate-resolution electron microscopy density maps. Lindert S, Staritzbichler R, Wötzel N, Karakaş M, Stewart PL, Meiler J (2009) Structure 17(7): 990-1003
    › Primary publication · 19604479 (PubMed) · PMC3760413 (PubMed Central)
  158. A correspondence between solution-state dynamics of an individual protein and the sequence and conformational diversity of its family. Friedland GD, Lakomek NA, Griesinger C, Meiler J, Kortemme T (2009) PLoS Comput Biol 5(5): e1000393
    › Primary publication · 19478996 (PubMed) · PMC2682763 (PubMed Central)
  159. The evolutionarily conserved residue A653 plays a key role in HERG channel closing. Stepanovic SZ, Potet F, Petersen CI, Smith JA, Meiler J, Balser JR, Kupershmidt S (2009) J Physiol 587(Pt 11): 2555-66
    › Primary publication · 19406877 (PubMed) · PMC2714020 (PubMed Central)
  160. Hybrid approaches: applying computational methods in cryo-electron microscopy. Lindert S, Stewart PL, Meiler J (2009) Curr Opin Struct Biol 19(2): 218-25
    › Primary publication · 19339173 (PubMed) · PMC2726835 (PubMed Central)
  161. Solvent accessible surface area approximations for rapid and accurate protein structure prediction. Durham E, Dorr B, Woetzel N, Staritzbichler R, Meiler J (2009) J Mol Model 15(9): 1093-108
    › Primary publication · 19234730 (PubMed) · PMC2712621 (PubMed Central)
  162. The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating. Fallen K, Banerjee S, Sheehan J, Addison D, Lewis LM, Meiler J, Denton JS (2009) Channels (Austin) 3(1): 57-68
    › Primary publication · 19221509 (PubMed)
  163. A unified hydrophobicity scale for multispan membrane proteins. Koehler J, Woetzel N, Staritzbichler R, Sanders CR, Meiler J (2009) Proteins 76(1): 13-29
    › Primary publication · 19089980 (PubMed) · PMC2761718 (PubMed Central)
  164. Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Lakomek NA, Lange OF, Walter KF, Farès C, Egger D, Lunkenheimer P, Meiler J, Grubmüller H, Becker S, de Groot BL, Griesinger C (2008) Biochem Soc Trans 36(Pt 6): 1433-7
    › Primary publication · 19021570 (PubMed)
  165. Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies. Kaufmann KW, Dawson ES, Henry LK, Field JR, Blakely RD, Meiler J (2009) Proteins 74(3): 630-42
    › Primary publication · 18704946 (PubMed) · PMC2782712 (PubMed Central)
  166. Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel. Kang C, Tian C, Sönnichsen FD, Smith JA, Meiler J, George AL, Vanoye CG, Kim HJ, Sanders CR (2008) Biochemistry 47(31): 7999-8006
    › Primary publication · 18611041 (PubMed) · PMC2580054 (PubMed Central)
  167. BCL::Align-sequence alignment and fold recognition with a custom scoring function online. Dong E, Smith J, Heinze S, Alexander N, Meiler J (2008) Gene 422(1-2): 41-6
    › Primary publication · 18601985 (PubMed) · PMC2658673 (PubMed Central)
  168. Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Lange OF, Lakomek NA, Farès C, Schröder GF, Walter KF, Becker S, Meiler J, Grubmüller H, Griesinger C, de Groot BL (2008) Science 320(5882): 1471-5
    › Primary publication · 18556554 (PubMed)
  169. A model for the solution structure of the rod arrestin tetramer. Hanson SM, Dawson ES, Francis DJ, Van Eps N, Klug CS, Hubbell WL, Meiler J, Gurevich VV (2008) Structure 16(6): 924-34
    › Primary publication · 18547524 (PubMed) · PMC2464289 (PubMed Central)
  170. Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Lakomek NA, Walter KF, Farès C, Lange OF, de Groot BL, Grubmüller H, Brüschweiler R, Munk A, Becker S, Meiler J, Griesinger C (2008) J Biomol NMR 41(3): 139-55
    › Primary publication · 18523727 (PubMed) · PMC2480484 (PubMed Central)
  171. De novo high-resolution protein structure determination from sparse spin-labeling EPR data. Alexander N, Bortolus M, Al-Mestarihi A, Mchaourab H, Meiler J (2008) Structure 16(2): 181-95
    › Primary publication · 18275810 (PubMed) · PMC2390841 (PubMed Central)
  172. Bound to be different: neurotransmitter transporters meet their bacterial cousins. Henry LK, Meiler J, Blakely RD (2007) Mol Interv 7(6): 306-9
    › Primary publication · 18199851 (PubMed)
  173. Structural models for the KCNQ1 voltage-gated potassium channel. Smith JA, Vanoye CG, George AL, Meiler J, Sanders CR (2007) Biochemistry 46(49): 14141-52
    › Primary publication · 17999538 (PubMed) · PMC2565492 (PubMed Central)
  174. Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site. McKinney BA, Kallewaard NL, Crowe JE, Meiler J (2007) Immunome Res : 8
    › Primary publication · 17877819 (PubMed) · PMC2042970 (PubMed Central)
  175. Structural basis of the activity of the microtubule-stabilizing agent epothilone a studied by NMR spectroscopy in solution. Reese M, Sánchez-Pedregal VM, Kubicek K, Meiler J, Blommers MJ, Griesinger C, Carlomagno T (2007) Angew Chem Int Ed Engl 46(11): 1864-8
    › Primary publication · 17274084 (PubMed)
  176. New algorithms and an in silico benchmark for computational enzyme design. Zanghellini A, Jiang L, Wollacott AM, Cheng G, Meiler J, Althoff EA, Röthlisberger D, Baker D (2006) Protein Sci 15(12): 2785-94
    › Primary publication · 17132862 (PubMed) · PMC2242439 (PubMed Central)
  177. The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide. Sánchez-Pedregal VM, Kubicek K, Meiler J, Lyothier I, Paterson I, Carlomagno T (2006) Angew Chem Int Ed Engl 45(44): 7388-94
    › Primary publication · 17036370 (PubMed)
  178. ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility. Meiler J, Baker D (2006) Proteins 65(3): 538-48
    › Primary publication · 16972285 (PubMed)
  179. A thorough dynamic interpretation of residual dipolar couplings in ubiquitin. Lakomek NA, Carlomagno T, Becker S, Griesinger C, Meiler J (2006) J Biomol NMR 34(2): 101-15
    › Primary publication · 16518697 (PubMed)
  180. Side-chain orientation and hydrogen-bonding imprint supra-Tau(c) motion on the protein backbone of ubiquitin. Lakomek NA, Farès C, Becker S, Carlomagno T, Meiler J, Griesinger C (2005) Angew Chem Int Ed Engl 44(47): 7776-8
    › Primary publication · 16276548 (PubMed)
  181. CASP6 assessment of contact prediction. Graña O, Baker D, MacCallum RM, Meiler J, Punta M, Rost B, Tress ML, Valencia A (2005) Proteins : 214-24
    › Primary publication · 16187364 (PubMed)
  182. Free modeling with Rosetta in CASP6. Bradley P, Malmström L, Qian B, Schonbrun J, Chivian D, Kim DE, Meiler J, Misura KM, Baker D (2005) Proteins : 128-34
    › Primary publication · 16187354 (PubMed)
  183. The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping. Sánchez-Pedregal VM, Reese M, Meiler J, Blommers MJ, Griesinger C, Carlomagno T (2005) Angew Chem Int Ed Engl 44(27): 4172-5
    › Primary publication · 15929149 (PubMed)
  184. The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy. Meiler J, Baker D (2005) J Magn Reson 173(2): 310-6
    › Primary publication · 15780923 (PubMed)
  185. Novel methods of automated structure elucidation based on 13C NMR spectroscopy. Meiler J, Köck M (2004) Magn Reson Chem 42(12): 1042-5
    › Primary publication · 15470690 (PubMed)
  186. Projection angle restraints for studying structure and dynamics of biomolecules. Griesinger C, Peti W, Meiler J, Brüschweiler R (2004) Methods Mol Biol : 107-21
    › Primary publication · 15317994 (PubMed)
  187. Strand-loop-strand motifs: prediction of hairpins and diverging turns in proteins. Kuhn M, Meiler J, Baker D (2004) Proteins 54(2): 282-8
    › Primary publication · 14696190 (PubMed)
  188. Rapid protein fold determination using unassigned NMR data. Meiler J, Baker D (2003) Proc Natl Acad Sci U S A 100(26): 15404-9
    › Primary publication · 14668443 (PubMed) · PMC307580 (PubMed Central)
  189. Rosetta predictions in CASP5: successes, failures, and prospects for complete automation. Bradley P, Chivian D, Meiler J, Misura KM, Rohl CA, Schief WR, Wedemeyer WJ, Schueler-Furman O, Murphy P, Schonbrun J, Strauss CE, Baker D (2003) Proteins : 457-68
    › Primary publication · 14579334 (PubMed)
  190. Coupled prediction of protein secondary and tertiary structure. Meiler J, Baker D (2003) Proc Natl Acad Sci U S A 100(21): 12105-10
    › Primary publication · 14528006 (PubMed) · PMC218720 (PubMed Central)
  191. Dipolar couplings in multiple alignments suggest alpha helical motion in ubiquitin. Meiler J, Peti W, Griesinger C (2003) J Am Chem Soc 125(27): 8072-3
    › Primary publication · 12837055 (PubMed)
  192. The high-resolution solution structure of epothilone A bound to tubulin: an understanding of the structure-activity relationships for a powerful class of antitumor agents. Carlomagno T, Blommers MJ, Meiler J, Jahnke W, Schupp T, Petersen F, Schinzer D, Altmann KH, Griesinger C (2003) Angew Chem Int Ed Engl 42(22): 2511-5
    › Primary publication · 12800173 (PubMed)
  193. PROSHIFT: protein chemical shift prediction using artificial neural networks. Meiler J (2003) J Biomol NMR 26(1): 25-37
    › Primary publication · 12766400 (PubMed)
  194. A structural model of the complex formed by phospholamban and the calcium pump of sarcoplasmic reticulum obtained by molecular mechanics. Hutter MC, Krebs J, Meiler J, Griesinger C, Carafoli E, Helms V (2002) Chembiochem 3(12): 1200-8
    › Primary publication · 12465028 (PubMed)
  195. Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods. Meiler J, Maier W, Will M, Meusinger R (2002) J Magn Reson 157(2): 242-52
    › Primary publication · 12323143 (PubMed)
  196. Model-free analysis of protein backbone motion from residual dipolar couplings. Peti W, Meiler J, Brüschweiler R, Griesinger C (2002) J Am Chem Soc 124(20): 5822-33
    › Primary publication · 12010057 (PubMed)
  197. Validation of structural proposals by substructure analysis and 13C NMR chemical shift prediction. Meiler J, Sanli E, Junker J, Meusinger R, Lindel T, Will M, Maier W, Köck M (2002) J Chem Inf Comput Sci 42(2): 241-8
    › Primary publication · 11911693 (PubMed)
  198. Genius: a genetic algorithm for automated structure elucidation from 13C NMR spectra. Meiler J, Will M (2002) J Am Chem Soc 124(9): 1868-70
    › Primary publication · 11866596 (PubMed)
  199. Automated structure elucidation of organic molecules from (13)c NMR spectra using genetic algorithms and neural networks. Meiler J, Will M (2001) J Chem Inf Comput Sci 41(6): 1535-46
    › Primary publication · 11749580 (PubMed)
  200. Determination of aliphatic side-chain conformation using cross-correlated relaxation: application to an extraordinarily stable 2'-aminoethoxy-modified oligonucleotide triplex. Carlomagno T, Blommers MJ, Meiler J, Cuenoud B, Griesinger C (2001) J Am Chem Soc 123(30): 7364-70
    › Primary publication · 11472167 (PubMed)
  201. Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins. Meiler J, Prompers JJ, Peti W, Griesinger C, Brüschweiler R (2001) J Am Chem Soc 123(25): 6098-107
    › Primary publication · 11414844 (PubMed)
  202. Fast determination of 13C NMR chemical shifts using artificial neural networks. Meiler J, Meusinger R, Will M (2000) J Chem Inf Comput Sci 40(5): 1169-76
    › Primary publication · 11045810 (PubMed)
  203. DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts. Meiler J, Peti W, Griesinger C (2000) J Biomol NMR 17(4): 283-94
    › Primary publication · 11014592 (PubMed)
  204. A new approach for applying residual dipolar couplings as restraints in structure elucidation. Meiler J, Blomberg N, Nilges M, Griesinger C (2000) J Biomol NMR 16(3): 245-52
    › Primary publication · 10805131 (PubMed)
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Keywords & MeSH Terms

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Actinomycetales Allosteric Site Apoptosis Aptamers, Nucleotide Blood Proteins Caco-2 Cells Capsid Proteins Chlorides Diagnostic Imaging Didanosine Fluorine Radioisotopes Genetic Vectors Glycosylation High-Throughput Screening Assays Hippocampus Homeodomain Proteins Humans KCNQ1 Potassium Channel Mammals Metals, Rare Earth Monte Carlo Method Multiprotein Complexes Mutation Receptors, GABA-A Receptors, Purinergic P2 Software Structural Homology, Protein Substrate Specificity Support Vector Machine Vancomycin