Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays. - Wenfang Zhou; Mojie Duan; Weitao Fu; Jinping Pang; Qin Tang; Huiyong Sun; Lei Xu 035; Shan Chang; Dan Li 013; Tingjun Hou (Genom. Proteom. Bioinform., 2018)

Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator. - Na Liu; Wenfang Zhou; Yue Guo; Junmei Wang; Weitao Fu; Huiyong Sun; Dan Li 013; Mojie Duan; Tingjun Hou (J. Chem. Inf. Model., 2018)

Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations. - Ye Jin; Mojie Duan; Xuwen Wang; Xiaotian Kong; Wenfang Zhou; Huiyong Sun; Hui Liu; Dan Li 013; Huidong Yu; Youyong Li; Tingjun Hou (J. Chem. Inf. Model., 2019)

Molecular View on the Dissociation Pathways and Transactivation Regulation Mechanism of Nonsteroidal GR Ligands. - Haiyi Chen; Rui Zhou; Jinping Pang; Yue Guo; Jiawen Chen; Yu Kang 002; Mojie Duan; Tingjun Hou (J. Chem. Inf. Model., 2022)

Phosphorylation Regulation on the Homo-Dimeric Binding of Transactive Response DNA-Binding Protein. - Wanqian Dong; Rui Zhou; Jiawen Chen; Zhengyu Shu; Mojie Duan (J. Chem. Inf. Model., 2022)

The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations. - Tao Jiang; Zhenhao Liu; Wenlang Liu; Jiawen Chen; Zheng Zheng 002; Mojie Duan (J. Chem. Inf. Model., 2022)

The Conformational Transitions and Dynamics of Burkholderia cepacia Lipase Regulated by Water-Oil Interfaces. - Kuan Liang; Wanqian Dong; Jiamin Gao; Zhenhao Liu; Rui Zhou; Zhengyu Shu; Mojie Duan (J. Chem. Inf. Model., 2023)

Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding. - Zhenhao Liu; Kuan Liang; Wenlang Liu; Tao Jiang; Rui Zhou; Mojie Duan; Zheng Zheng 002 (J. Chem. Inf. Model., 2023)

On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate. - Haiyi Chen; Yue Guo; Shengqing Ye; Jintu Zhang; Haotian Zhang; Na Liu; Rui Zhou; Tingjun Hou; Hongguang Xia; Yu Kang 002; Mojie Duan (J. Chem. Inf. Model., 2023)