MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization
Author:
Affiliation:
1. Department of Molecular Structure, Amgen Inc., 1120 Veterans Boulevard, South San Francisco, California 94080
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci800004w
Reference59 articles.
1. Free energy calculations: Applications to chemical and biochemical phenomena
2. Free energy calculations: a breakthrough for modeling organic chemistry in solution
3. Free Energy Simulations Come of Age: Protein−Ligand Recognition
4. Are Free Energy Calculations Useful in Practice? A Comparison with Rapid Scoring Functions for the p38 MAP Kinase Protein System
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