Shun, Zhu; Validation of the Generalized Force Fields GAFF, CGenFF,OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules , Journal of Chemical Information and Modeling, 2019, 59(10): 4239-4247.
Shi, Qiu#; Shun, Zhu#; Shan, Xu; Yanyan, Han; Wen, Liu*; Ji, Zuo*; Molecular dynamics simulations of human E3 ubiquitin ligase Parkin , Molecular Medicine Reports, 2017, 16(4): 4561-4568.
Yanyan, Han; Peiye, Gao; Shi, Qiu; Linbing, Zhang; Ling, Yang; Ji, Zuo; Chunjiu, Zhong; Shun, Zhu*; Wen, Liu*; MTERF2 contributes to MPP+ induced mitochondrial dysfunction and cell damage , Biochemical and Biophysical Research Communications, 2016, 471(1): 177-183.
Shun, Zhu; Sue, Travis; Adrian, Elcock*; Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: A combined computational and experimental study, Journal of Chemical Theory and Computation, 2013, 9(7): 3151-3164.
Shun, Zhu; Adrian, Elcock*; A Complete Thermodynamic Characterization of Electrostatic and Hydrophobic Associations in the Temperature Range 0 to 100 degrees C from Explicit-Solvent Molecular Dynamics Simulations , Journal of Chemical Theory and Computation, 2010, 6(4): 1293-1306.
