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CORC

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A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：38/0  |  提交时间：2019/06/20
A theoretical investigation on the structures of (nh3)center dot(h2so4)center dot(h2o)(0-14) clusters 期刊论文
International journal of quantum chemistry, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：72/0  |  提交时间：2019/05/08
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：59/0  |  提交时间：2019/01/08
Inhibiting mechanism of small molecule toward the p53-MDM2 interaction: A molecular dynamic exploration 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2018, 卷号: 92, 期号: 4, 页码: 1763-1777
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Zhu, Weiliang
收藏  |  浏览/下载：40/0  |  提交时间：2019/01/08
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
作者:  Liu, Na;  Zhou, Wenfang;  Guo, Yue;  Wang, Junmei;  Fu, Weitao
收藏  |  浏览/下载：62/0  |  提交时间：2018/11/05
The effects of implicit modeling of nonpolar solvation on protein folding simulations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 27, 页码: 18410-18419
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：8/0  |  提交时间：2019/01/08
Conformational preferences and isomerization upon excitation/ionization of 2-methoxypyridine and 2-N-methylaminopyridine 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 9, 页码: 6211-6226
作者:  Cheng, Min;  Zhu, Qihe;  Dai, Wenshuai;  Liu, Sheng;  Zhang, Zhe
收藏  |  浏览/下载：42/0  |  提交时间：2019/06/20
Conformational preferences and isomerization upon excitation/ionization of 2-methoxypyridine and 2-N-methylaminopyridine 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 9, 页码: 6211-6226
作者:  Dai, Wenshuai;  Liu, Sheng;  Zhang, Zhe;  Chi, Xiaoping;  Cheng, Min
收藏  |  浏览/下载：42/0  |  提交时间：2019/04/09
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
Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：6/0  |  提交时间：2019/01/08

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