Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.

G protein-coupled receptors (GPCRs) play crucial roles in cell physiology and pathophysiology. There is increasing interest in using structural information for virtual screening (VS) of libraries and for structure-based drug design to identify novel agonist or antagonist leads. However, the sparse a...

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Bibliographic Details
Main Authors: Thomas Coudrat, John Simms, Arthur Christopoulos, Denise Wootten, Patrick M Sexton
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2017-11-01
Series:PLoS Computational Biology
Online Access:http://europepmc.org/articles/PMC5708846?pdf=render