Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes. - Yang Zhou 025; Rongfeng Zou; Guanglin Kuang; Bengt Långström; Christer Halldin; Hans Ågren; Yaoquan Tu (J. Chem. Inf. Model., 2019)

Computational Studies of Protein-ligand Systems Using Enhanced Sampling Methods. - Rongfeng Zou (2019)

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2. - Rongfeng Zou; Yang Zhou 025; Yong Wang 056; Guanglin Kuang; Hans Ågren; Junchen Wu; Yaoquan Tu (J. Chem. Inf. Model., 2020)

Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study. - Lin Wei; Min Xu; Zhiqiang Liu; Chongguo Jiang; Xiaohua Lin; Yaogang Hu; Xiaoming Wen; Rongfeng Zou; Chunwang Peng; Hongrui Lin; Guo Wang; Lijun Yang; et al. (J. Chem. Inf. Model., 2023)