Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase-9 Using QM/MM Calculations. - Binbin Chen 004; Zhengzhong Kang; En Zheng; Yingchun Liu; James W. Gauld; Qi Wang 062 (J. Chem. Inf. Model., 2021)

Computational investigation of functional water molecules in GPCRs bound to G protein or arrestin. - Jiaqi Hu; Xianqiang Sun; Zhengzhong Kang; Jianxin Cheng (J. Comput. Aided Mol. Des., 2023)

Inhibition mechanism of MRTX1133 on KRASG12D: a molecular dynamics simulation and Markov state model study. - Fanglin Liang; Zhengzhong Kang; Xianqiang Sun; Jiao Chen; Xuemin Duan; Hu He; Jianxin Cheng (J. Comput. Aided Mol. Des., 2023)