Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay. - Liping Zhou; Tingting Liu; Mengxia Mo; Yulong Shi; Leyun Wu; Yishui Li; Qiuping Qin; Weiliang Zhu; Chengkun Wu; Likun Gong; Zhijian Xu (J. Chem. Inf. Model., 2022)

Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery. - Leyun Wu; Guangpu Wang; Liping Zhou; Mengxia Mo; Yulong Shi; Bo Li; Leimiao Yin; Qiang Zhao; Yongqing Yang; Chengkun Wu; Zhijian Xu; Weiliang Zhu (Comput. Biol. Medicine, 2023)