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CORC

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A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, 卷号: 33, 期号: 12, 页码: 2606-2618
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhang, Qinggang;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation 期刊论文
SCIENTIFIC REPORTS, 2015, 卷号: 5
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhang, Qinggang;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08
Influences of Conjugation Extent on the Aggregation-Induced Emission Quantum Efficiency in Silole Derivatives: A Computational Study 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2015, 卷号: 10, 期号: 10, 页码: 2154-2161
作者:  Xie, Yujun;  Zhang, Tian;  Li, Zhen;  Peng, Qian;  Yi, Yuanping
收藏  |  浏览/下载：31/0  |  提交时间：2015/11/17
Communication: Rate coefficients of the H + CH4 -> H-2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface 期刊论文
journal of chemical physics, 2015, 卷号: 143, 期号: 10
作者:  Meng, Qingyong;  Chen, Jun;  Zhang, Dong H.
收藏  |  浏览/下载：19/0  |  提交时间：2015/11/17
An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method 期刊论文
chemical physics, 2015, 卷号: 458, 页码: 41-51
作者:  Yu, Dequan;  Cong, Shu-Lin;  Sun, Zhigang
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/17
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun; Ma, Guangcai; Liu, Yongjun; Ling, Baoping
收藏  |  浏览/下载：17/0  |  提交时间：2019/06/14
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun; Ma, Guangcai; Liu, Yongjun; Ling, Baoping
收藏  |  浏览/下载：17/0  |  提交时间：2019/07/05
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun; Ma, Guangcai; Liu, Yongjun; Ling, Baoping
收藏  |  浏览/下载：19/0  |  提交时间：2019/06/21
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun; Ma, Guangcai; Liu, Yongjun; Ling, Baoping
收藏  |  浏览/下载：12/0  |  提交时间：2019/06/28
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun; Ma, Guangcai; Liu, Yongjun; Ling, Baoping
收藏  |  浏览/下载：13/0  |  提交时间：2019/07/12

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