Du Wei-Na

A benchmarking study on virtual ligand screening against homology models of human GPCRs

Published date : 27 Jul 2018

G-protein-coupled receptor (GPCR) is an important target class of proteins for drug discovery, with over 27% of FDA-approved drugs targeting GPCRs. However, being a membrane protein, it is difficult to obtain the 3D crystal structures of GPCRs for virtual screening of ligands by molecular docking. Thus, we evaluated the virtual screening performance of homology models of human GPCRs with respect to the corresponding crystal structures.

Journal Paper
Proteins: Structure, Function, and Bioinformatics, 2018 Jul 27, doi: 10.1002/prot.25533
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