Potential Application of Alchemical Free Energy Simulations to Discriminate GPCR Ligand Efficacy
Author:
Affiliation:
1. Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas, 2030 Becker Drive, Lawrence, Kansas 66047, United States
2. Department of Chemistry, Seoul National University, Seoul 151-747, Republic of Korea
Funder
National Institute of General Medical Sciences
National Research Foundation of Korea
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5008907
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1. G-protein-coupled receptor-focused drug discovery using a target class platform approach
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3. How many drug targets are there?
4. Efficacy at g-protein-coupled receptors
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