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CORC

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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载：47/0  |  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
Identification of beagle food taking patterns and protocol for food effects evaluation on bioavailability 期刊论文
SCIENTIFIC REPORTS, 2018, 卷号: 8
作者:  Zhang, Guoqing;  Wang, Caifen;  Wu, Li;  Xu, Jian;  Hu, Xiaoxiao
收藏  |  浏览/下载：23/0  |  提交时间：2019/01/08
Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7
作者:  Yuan, Xiaojing;  Xu, Yechun
收藏  |  浏览/下载：23/0  |  提交时间：2019/01/08
Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 44, 页码: 30239-30248
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Energetics and structural characterization of the "DFG-flip'' conformational transition of B-RAF kinase: a SITS molecular dynamics study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 2, 页码: 1257-1267
作者:  Shao, Qiang;  Xu, Zhijian;  Wang, Jinan;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
Microstructural investigation using synchrotron radiation X-ray microtomography reveals taste-masking mechanism of acetaminophen microspheres 期刊论文
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2016, 卷号: 499, 期号: 1-2, 页码: 47-57
作者:  Guo, Zhen;  Yin, Xianzhen;  Liu, Congbiao;  Wu, Li;  Zhu, Weifeng
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Effect of N-methyl deuteration on metabolism and pharmacokinetics of enzalutamide 期刊论文
DRUG DESIGN DEVELOPMENT AND THERAPY, 2016, 卷号: 10, 页码: 2181-2191
作者:  Jiang, Jinfang;  Pang, Xuehai;  Li, Liang;  Dai, Xiaojian;  Diao, Xingxing
收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08
An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 卷号: 55, 期号: 4, 页码: 833-847
作者:  Bai, Fang;  Liao, Sha;  Gu, Junfeng;  Jiang, Hualiang;  Wang, Xicheng
收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08
Blood pyrrole-protein adducts as a diagnostic and prognostic index in pyrrolizidine alkaloid-hepatic sinusoidal obstruction syndrome 期刊论文
DRUG DESIGN DEVELOPMENT AND THERAPY, 2015, 卷号: 9, 页码: 4861-4868
作者:  Gao, Hong;  Ruan, Jianqing Q.;  Chen, Jie;  Li, Na;  Ke, Changqiang Q.
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08

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