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CORC

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Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state 期刊论文
BIOTECHNOLOGY AND BIOENGINEERING, 2016, 卷号: 113, 期号: 6, 页码: 1171-1177
作者:  Wang, Yefei;  Song, Xiangfei;  Zhang, Shujun;  Li, Jingwen;  Shu, Zhiyu
收藏  |  浏览/下载：21/0  |  提交时间：2016/07/12
Thermodynamics calculation of protein- ligand interactions by QM/ MM polarizable charge parameters 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2016, 卷号: 34, 期号: 1, 页码: 163-176
作者:  Wang, Jinan;  Shao, Qiang;  Cossins, Benjamin P.;  Shi, Jiye;  Chen, Kaixian
收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08
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
Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015
Zhang, Jun; Yang, Y. Isaac; Yang, Lijiang; Gao, Yi Qin
收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03
Conformational Preadjustment in Aqueous Claisen Rearrangement Revealed by SITS-QM/MM MD Simulations 期刊论文
the journal of physical chemistry b, 2015
Zhang Jun; Yang Yi Isaac; Yang Lijiang; Gao Yi Qin
收藏  |  浏览/下载：4/0  |  提交时间：2015/11/11
How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy simulations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 页码: 125
作者:  Chu, Yuzhuo;  Sun, Lu;  Zhong, Shijun
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/09
Computational Study of Symmetric Methylation on Histone Arginine Catalyzed by Protein Arginine Methyltransferase PRMT5 through QM/MM MD and Free Energy Simulations 期刊论文
MOLECULES, 2015, 卷号: 20, 页码: 10032-10046
作者:  Yue, Yufei;  Chu, Yuzhuo;  Guo, Hong
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/09
QM/MM MD and Free Energy Simulation Study of Methyl Transfer Processes Catalyzed by PKMTs and PRMTs 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2015, 卷号: 7, 页码: 309-318
作者:  Chu, Yuzhuo;  Guo, Hong
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/09
Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer 期刊论文
journal of chemical theory and computation, 2014, 卷号: 10, 期号: 8, 页码: 3319-3330
作者:  Li, Xin;  Chung, Lung Wa;  Morokuma, Keiji;  Li, Guohui
收藏  |  浏览/下载：32/0  |  提交时间：2015/11/17

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