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Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
作者:  Zheng, Fang;  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：23/0  |  提交时间：2017/10/29
Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08
Conformational Dynamics of apo-GlnBP Revealed by Experimental and Computational Analysis 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 卷号: 55, 期号: 45, 页码: 13990-13994
作者:  Feng, Yitao;  Zhang, Lu;  Wu, Shaowen;  Liu, Zhijun;  Gao, Xin
收藏  |  浏览/下载：53/0  |  提交时间：2017/03/16
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
作者:  Chung, Lung Wa;  Li, Xin;  Li, Guohui
收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20
Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2016, 卷号: 22, 期号: 45, 页码: 16113-16123
作者:  Gao, Yanan;  Slattery, John M.;  Shimizu, Karina;  Bruce, Duncan W.;  Canongia Lopes, Jose Nuno
收藏  |  浏览/下载：180/0  |  提交时间：2019/06/20
Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2016, 卷号: 384, 页码: 68-75
作者:  Wang, D.;  Gao, N.;  Wang, Z. G.;  Gao, X.;  He, W. H.
收藏  |  浏览/下载：18/0  |  提交时间：2018/05/31
Molecular dynamics simulations on tetraalkylammonium interactions with dodecyl sulfate micelles at the air/water interface 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 222, 页码: 1085-1090
作者:  Liu, Guokui;  Li, Ruoxue;  Wei, Yaoyao;  Gao, Fengfeng;  Wang, Honglei
收藏  |  浏览/下载：16/0  |  提交时间：2017/01/03
Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation 期刊论文
Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms, 2016, 卷号: 384, 页码: 68-75
作者:  Wang, D.;  Gao, N.;  Wang, Z. G.;  Gao, X.;  He, W. H.
收藏  |  浏览/下载：31/0  |  提交时间：2019/05/09
Surface modification of adamantane-terminated gold nanoclusters using cyclodextrins 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 33, 页码: 23358-23364
作者:  Liu, Chao;  Abroshan, Hadi;  Yan, Chunyang;  Li, Zhimin;  Qiu, Renhua
收藏  |  浏览/下载：13/0  |  提交时间：2019/06/20
Surface modification of adamantane-terminated gold nanoclusters using cyclodextrins 期刊论文
Physical chemistry chemical physics, 2016, 卷号: 18, 期号: 33, 页码: 23358-23364
作者:  Yan, Chunyang;  Liu, Chao;  Abroshan, Hadi;  Li, Zhimin;  Qiu, Renhua
收藏  |  浏览/下载：19/0  |  提交时间：2019/05/09

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