Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered Homology Modeling and Structure-Based Virtual Screening

Author:

Cavasotto Claudio N.1,Orry Andrew J. W.1,Murgolo Nicholas J.1,Czarniecki Michael F.1,Kocsi Sue Ann1,Hawes Brian E.1,O’Neill Kim A.1,Hine Heather1,Burton Marybeth S.1,Voigt Johannes H.1,Abagyan Ruben A.1,Bayne Marvin L.1,Monsma Frederick J.1

Affiliation:

1. MolSoft LLC, 3366 North Torrey Pines Court, Suite 300, La Jolla, California 92037, Departments of Discovery Technologies, Chemical Technologies, Cardiovascular Biology, Structural Chemistry, and New Lead Discovery, Schering-Plough Research Institute, 2015 Galloping Hill Road, Kenilworth, New Jersey 07033, and The Scripps Research Institute, 10550 North Torrey Pines Court, La Jolla, California 92037

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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