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CORC

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Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening 期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 7, 页码: 14
作者:  Zhou, Qingtong;  Guo, Wanjing;  Dai, Antao;  Cai, Xiaoqing;  Vass, Marton
收藏  |  浏览/下载：41/0  |  提交时间：2021/08/17
Interaction Nature and Computational Methods for Halogen Bonding: A Perspective 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 2683-2696
作者:  Zhu, Zhengdan;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载：25/0  |  提交时间：2020/12/24
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文
BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018
作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian
收藏  |  浏览/下载：42/0  |  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
Activation of the GLP-1 receptor by a non-peptidic agonist 期刊论文
NATURE, 2020, 页码: 432-+
作者:  Zhao, Peishen;  Liang, Yi-Lynn;  Belousoff, Matthew J.;  Deganutti, Giuseppe;  Fletcher, Madeleine M.
收藏  |  浏览/下载：33/0  |  提交时间：2020/07/01
Nonnative contact effects in protein folding 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 22, 页码: 11924-11936
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2020/07/01
Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 20, 页码: 10423-10435
作者:  Shao, Qiang;  Yang, Lijiang;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2020/07/01
Improving the accuracy of predicting protein-ligand binding-free energy with semiempirical quantum chemistry charge 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 4, 页码: 303-321
作者:  Peng, Cheng;  Wang, Jinan;  Yu, Yuqi;  Wang, Guimin;  Chen, Zhaoqiang
收藏  |  浏览/下载：3/0  |  提交时间：2020/07/01
CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 卷号: 15, 期号: 1, 页码: 775-786
作者:  Lee, Jumin;  Patel, Dhilon S.;  Stahle, Jonas;  Park, Sang-Jun;  Kern, Nathan R.
收藏  |  浏览/下载：26/0  |  提交时间：2020/07/01
Dynamic States of the Ligand-Free Class A G Protein-Coupled Receptor Extracellular Side 期刊论文
BIOCHEMISTRY, 2018, 卷号: 57, 期号: 32, 页码: 4767-4775
作者:  Zhang, Qiansen;  Zhou, Mang;  Zhao, Lifen;  Jiang, Hualiang;  Yang, Huaiyu
收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08

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