Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis. - Junchao Xia; William F. Flynn; Emilio Gallicchio; Bin W. Zhang; Peng He; Zhiqiang Tan; Ronald M. Levy (J. Comput. Chem., 2015)

Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses. - Yoshitake Sakae; Bin W. Zhang; Ronald M. Levy; Nan-Jie Deng (J. Comput. Chem., 2020)

Leveraging the Thermodynamics of Protein Conformations in Drug Discovery. - Bin W. Zhang; Mikolai Fajer; Wei Chen; Francesca Moraca; Lingle Wang (J. Chem. Inf. Model., 2025)