Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site

Sarah E. Boyce, David L. Mobley, Gabriel Rocklin, Alan P. Graves, Ken A. Dill*, Brian K. Shoichet

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

128 Scopus citations

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Medicine & Life Sciences