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Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation

By Yoshifumi Fukunishi and Haruki Nakamura

Abstract

pharmaceutical

Topics: protein-ligand docking, molecular dynamics simulation, protein-ligand binding free energyPharmaceuticals 2012, 5 1065
Year: 2012
OAI identifier: oai:CiteSeerX.psu:10.1.1.353.427
Provided by: CiteSeerX
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