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Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:  Chen, Li;  Zhao, Shuang;  Zhu, Yanyan;  Liu, Yongsheng;  Li, Huiyu
收藏  |  浏览/下载:26/0  |  提交时间:2021/08/17
Molecular Dynamics Simulations Based on 1-Phenyl-4-Benzoyl-1-Hydro-Triazole ERR alpha Inverse Agonists 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 卷号: 22, 期号: 7, 页码: 14
作者:  Gao, Zhipei;  Du, Yongli;  Sheng, Xiehuang;  Shen, Jingkang
收藏  |  浏览/下载:25/0  |  提交时间:2021/05/24
Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载:18/0  |  提交时间:2021/05/24
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists 期刊论文
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:  Yu, Ming-cheng;  Yang, Feng;  Ding, Xiao-yu;  Sun, Nan-nan;  Jiang, Zheng-yuan
收藏  |  浏览/下载:84/0  |  提交时间:2020/12/24
Structural basis for activation of the growth hormone-releasing hormone receptor 期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 10
作者:  Zhou, Fulai;  Zhang, Huibing;  Cong, Zhaotong;  Zhao, Li-Hua;  Zhou, Qingtong
收藏  |  浏览/下载:23/0  |  提交时间:2020/12/21
Molecular dynamics simulations reveal the mechanism of the interactions between the inhibitors and SIRT2 at atom level 期刊论文
MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 8, 页码: 638-649
作者:  Wang, Xiaoyu;  Song, Menghua;  Zhao, Shuang;  Li, Huiyu;  Zhao, Qingjie
收藏  |  浏览/下载:35/0  |  提交时间:2020/07/01
Structural Insight into the Interactions between Structurally Similar Inhibitors and SIRT6 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 7, 页码: 15
作者:  Zhao, Shuang;  Zhu, Yan-Yan;  Wang, Xiao-Yu;  Liu, Yong-Sheng;  Sun, Yun-Xiang
收藏  |  浏览/下载:30/0  |  提交时间:2020/07/01
Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 卷号: 38, 期号: 4, 页码: 975-984
作者:  Xu, Heng;  Tang, Zhengkuan;  Zuo, Yu;  Xiong, Fengmin;  Chen, Kaixian
收藏  |  浏览/下载:40/0  |  提交时间:2020/07/01
Full-length human GLP-1 receptor structure without orthosteric ligands 期刊论文
naturecommunications, 2020, 卷号: 11, 期号: 1, 页码: 1
作者:  Fan Wu;  Linlin Yang;  Kaini Hang;  Mette Laursen;  Lijie Wu
收藏  |  浏览/下载:26/0  |  提交时间:2020/07/01
Exploring the Ligand Binding/Unbinding Pathway by Selectively Enhanced Sampling of Ligand in a Protein-Ligand Complex 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 38, 页码: 7974-7983
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:2/0  |  提交时间:2020/07/01


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