Binding modes of three inhibitors 8CA, F8A and I4A to A-FABP studied based on molecular dynamics simulation.

by Jianzhong Chen, Jinan Wang, Weiliang Zhu
Published 2014-01-01

Application of a Stress-Fractional Model for Capturing the Stress-Strain Behavior of Granular Soils

by Wei Lu, Jiangong Yang, Jinan Wang
Published 2021-01-01

Improved Modeling of Peptide-Protein Binding Through Global Docking and Accelerated Molecular Dynamics Simulations

by Jinan Wang, Andrey Alekseenko, Andrey Alekseenko, Dima Kozakov, Dima Kozakov, Yinglong Miao
Published 2019-10-01

Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations

by Yonghua Wang, Guohui Li, Jinan Wang, Yan Li, Yao Yao, Mengmeng Liu, Jianling Liu
Published 2012-04-01

Ammonium transport proteins with changes in one of the conserved pore histidines have different performance in ammonia and methylamine conduction.

by Jinan Wang, Tim Fulford, Qiang Shao, Arnaud Javelle, Huaiyu Yang, Weiliang Zhu, Mike Merrick
Published 2013-01-01

Specific Engineered G Protein Coupling to Histamine Receptors Revealed from Cellular Assay Experiments and Accelerated Molecular Dynamics Simulations

by Carina Höring, Marcus Conrad, Christian A. Söldner, Jinan Wang, Heinrich Sticht, Andrea Strasser, Yinglong Miao
Published 2021-09-01

Q63, a novel DENV2 RdRp non-nucleoside inhibitor, inhibited DENV2 replication and infection

by Xingang Yao, Songxin Guo, Wenyu Wu, Jinan Wang, Shengen Wu, Shijun He, Yihong Wan, Kutty Selva Nandakumar, Xiaoguang Chen, Ning Sun, Qiuhua Zhu, Shuwen Liu
Published 2018-12-01

A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment.

by Xiuxiu Li, Xue Xu, Jinan Wang, Hua Yu, Xia Wang, Hongjun Yang, Haiyu Xu, Shihuan Tang, Yan Li, Ling Yang, Luqi Huang, Yonghua Wang, Shengli Yang
Published 2012-01-01

Identification and Validation of an <i>Aspergillus nidulans</i> Secondary Metabolite Derivative as an Inhibitor of the Musashi-RNA Interaction

by Lan Lan, Jiajun Liu, Minli Xing, Amber R. Smith, Jinan Wang, Xiaoqing Wu, Carl Appelman, Ke Li, Anuradha Roy, Ragul Gowthaman, John Karanicolas, Amber D. Somoza, Clay C. C. Wang, Yinglong Miao, Roberto De Guzman, Berl R. Oakley, Kristi L. Neufeld, Liang Xu
Published 2020-08-01