BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping.

Brown BP, Mendenhall J, Meiler J
J Chem Inf Model. 2019 59 (2): 689-701

PMID: 30707580 · PMCID: PMC6598199 · DOI:10.1021/acs.jcim.9b00020

MeSH Terms (6)

Cheminformatics Ligands Molecular Docking Simulation Monte Carlo Method Protein Conformation Small Molecule Libraries

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