Effect of the R119G mutation on human P5CR structure and its interactions with NAD: Insights derived from molecular dynamics simulation and free energy analysis. - Peng Sang; Yue-Hui Xie; Lin-Hua Li; Yu-Jia Ye; Wei Hu; Jing Wang; Wen Wan; Rui Li; Long-Jun Li; Linling Ma; Zhi Li; Shu-Qun Liu; et al. (Comput. Biol. Chem., 2017)

Computational Insights into SARS-CoV-2 Main Protease Mutations and Nirmatrelvir Efficacy: The Effects of P132H and P132H-A173V. - Yuan-Ling Xia; Wen-Wen Du; Yong-Ping Li; Yan Tao; Zhi-Bi Zhang; Song-Ming Liu; Yun-Xin Fu; Ke-Qin Zhang; Shu-Qun Liu (J. Chem. Inf. Model., 2024)