Simple Entropy Terms for End-Point Binding Free Energy Calculations
Author:
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00418
Reference71 articles.
1. The statistical-thermodynamic basis for computation of binding affinities: a critical review
2. Hit Identification and Binding Mode Predictions by Rigorous Free Energy Simulations
3. Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site
4. Absolute Binding Free Energy Calculations of Sparsomycin Analogs to the Bacterial Ribosome
5. On achieving high accuracy and reliability in the calculation of relative protein-ligand binding affinities
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