Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring
Author:
Affiliation:
1. Cancer Discovery, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham Massachusetts 02451
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm060522a
Reference23 articles.
1. Free Energy Simulations Come of Age: Protein−Ligand Recognition
2. Free energy calculations: Applications to chemical and biochemical phenomena
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