Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy

Son Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, Pham Cam Nam, Khanh B. Vu, Van V. Vu. Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy. Journal of Computational Chemistry, 41(7):611-618, 2020. [doi]

Abstract

Abstract is missing.