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Enhancement of hydrogen peroxide tolerance of lipase LipA from Bacillus subtilis using semi-rational design 期刊论文
BIOCHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 159, 页码: 9
Authors:  Jiang, Hong;  Jia, Wenjing;  Duan, Mojie;  Lin, Hong;  Huang, Jianzhong;  Li, Xin;  Shu, Zhengyu
Favorite  |  View/Download:7/0  |  Submit date:2020/07/02
Bacillus subtilis lipase A  Hydrogen peroxide tolerance  Oxidation  Stability  
A Virulence-Associated Glycolipid with Distinct Conformational Attributes: Impact on Lateral Organization of Host Plasma Membrane, Autophagy, and Signaling 期刊论文
ACS CHEMICAL BIOLOGY, 2020, 卷号: 15, 期号: 3, 页码: 740-750
Authors:  Dadhich, Ruchika;  Mishra, Manjari;  Ning, Shangbo;  Jana, Santanu;  Sarpe, Vikram A.;  Mahato, Jaladhar;  Duan, Mojie;  Kulkarni, Suvarn S.;  Kapoor, Shobhna
Favorite  |  View/Download:4/0  |  Submit date:2020/07/02
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays 期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427
Authors:  Zhou, Wenfang;  Duan, Mojie;  Fu, Weitao;  Pang, Jinping;  Tang, Qin;  Sun, Huiyong;  Xu, Lei;  Chang, Shan;  Li, Dan;  Hou, Tingjun
Favorite  |  View/Download:23/0  |  Submit date:2019/06/24
Androgen receptor  AR ligand  Virtual screening  AR agonist  AR antagonist  
The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 14, 页码: 13
Authors:  Guo, Yue;  Duan, Mojie;  Yang, Minghui
Favorite  |  View/Download:8/0  |  Submit date:2019/10/14
fatty acid binding protein  invisible intermediate states  transition time  binding mechanism  molecular dynamics simulation  
All-atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraints 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2019, 卷号: 87, 期号: 7, 页码: 541-550
Authors:  Su, Xinyue;  Wang, Ke;  Liu, Na;  Chen, Jiawen;  Li, Yong;  Duan, Mojie
Favorite  |  View/Download:11/0  |  Submit date:2019/10/14
aggregation  chemical shift restraint  islet amylod polypeptide  metadynamics  
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 2, 页码: 842-857
Authors:  Jin, Ye;  Duan, Mojie;  Wang, Xuwen;  Kong, Xiaotian;  Zhou, Wenfang;  Sun, Huiyong;  Liu, Hui;  Li, Dan;  Yu, Huidong;  Li, Youyong;  Hou, Tingjun
Favorite  |  View/Download:21/0  |  Submit date:2019/06/24
Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 8, 页码: 1652-1661
Authors:  Liu, Na;  Zhou, Wenfang;  Guo, Yue;  Wang, Junmei;  Fu, Weitao;  Sun, Huiyong;  Liu, Dan;  Duan, Mojie;  Hou, Tingjun
Favorite  |  View/Download:20/0  |  Submit date:2018/11/05
discoveryofnovelandrogenreceptorligandsbystructurebasedvirtualscreeningandbioassays 期刊论文
genomicsproteomicsbioinformatics, 2018, 卷号: 16, 期号: 6, 页码: 416
Authors:  Zhou Wenfang;  Duan Mojie;  Fu Weitao;  Pang Jinping;  Tang Qin;  Sun Huiyong;  Xu Lei;  Chang Shan;  Li Dan;  Hou Tingjun
Favorite  |  View/Download:10/0  |  Submit date:2020/01/14
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Liu, Na;  Duan, Mojie;  Yang, Minghui
Favorite  |  View/Download:27/0  |  Submit date:2017/12/06
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Liu, Na;  Duan, Mojie;  Yang, Minghui
Favorite  |  View/Download:29/0  |  Submit date:2017/12/06