Binding Affinities for Sulfonamide Inhibitors with Human Thrombin Using Monte Carlo Simulations with a Linear Response Method
Author:
Affiliation:
1. Department of Chemistry, Yale University, new Haven, Connecticut 06520-8107
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm960684e
Reference47 articles.
1. A new method for predicting binding affinity in computer-aided drug design
2. Estimation of binding free energies for HIV proteinase inhibitors by molecular dynamics simulations
3. On the Validity of Electrostatic Linear Response in Polar Solvents
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