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CORC

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Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers; MD Simulations; and Neutron Scattering 期刊论文
journal of physical chemistry b, 2015, 卷号: 119, 期号: 20, 页码: 9893
作者:  Shen YN(沈宇能);  Wu TM(吴天敏);  Jiang B(蒋博);  Deng GH(邓罡华);  Li JB(李介博)
收藏  |  浏览/下载：37/0  |  提交时间：2015/11/16
Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations 期刊论文
journal of chemical theory and computation, 2014, 卷号: 10, 期号: 11, 页码: 5195-5205
作者:  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：26/0  |  提交时间：2015/11/16
UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文
journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 8, 页码: 1341003
作者:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu
收藏  |  浏览/下载：24/0  |  提交时间：2014/09/11
A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family 期刊论文
journal of computational chemistry, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635
作者:  Pang, Xueqin;  Han, Keli;  Cui, Qiang
收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11
Theoretical study on the structures and properties of mixtures of urea and choline chloride 期刊论文
journal of molecular modeling, 2013, 卷号: 19, 期号: 6, 页码: 2433-2441
作者:  Sun, Hui;  Li, Yan;  Wu, Xue;  Li, Guohui
收藏  |  浏览/下载：13/0  |  提交时间：2014/09/11
Theoretical Elucidation of the Origin for Assembly of the DAP12 Dimer with Only One NKG2C in the Lipid Membrane 期刊论文
journal of physical chemistry b, 2013, 卷号: 117, 期号: 17, 页码: 4789-4797
作者:  Sun, Hui;  Chu, Huiying;  Fu, Ting;  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：14/0  |  提交时间：2014/09/11
Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations 期刊论文
current topics in medicinal chemistry, 2013, 卷号: 13, 期号: 10, 页码: 1222-1233
作者:  Chu, Huiying;  Min, Hanyi;  Zhang, Mingbo;  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：32/0  |  提交时间：2014/09/11
Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors 期刊论文
current topics in medicinal chemistry, 2013, 卷号: 13, 期号: 10, 页码: 1211-1221
作者:  Chu, Huiying;  Min, Hanyi;  Zhang, Mingbo;  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：20/0  |  提交时间：2014/09/11
QMMM MD and free energy simulations of the methylation reactions catalyzed by protein arginine methyltransferase PRMT3 期刊论文
canadian journal of chemistry, 2013, 卷号: 91, 页码: 605
Chu YZ; 李国辉; Guo Hong
收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11
The impact of the number of layers of a graphene nanopore on DNA translocation 期刊论文
soft matter, 2013, 卷号: 9, 期号: 3, 页码: 960-966
作者:  Lv, Wenping;  Chen, Maodu;  Wu, Ren'an
收藏  |  浏览/下载：11/0  |  提交时间：2014/09/11

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