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CORC

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The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:  Liu, Guokui;  Feng, Jin;  Wang, Honglei;  Gao, Fengfeng;  Wei, Yaoyao
收藏  |  浏览/下载：42/0  |  提交时间：2018/12/21
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
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
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：24/0  |  提交时间：2017/10/29
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:  Wu, SG;  Jiang, MQ;  Liu, L;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
收藏  |  浏览/下载：17/0  |  提交时间：2017/10/13
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:  Wu, SG;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.;  Feng, D
收藏  |  浏览/下载：13/0  |  提交时间：2017/10/13
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:  Wu, SG;  Feng, D
收藏  |  浏览/下载：13/0  |  提交时间：2019/04/08
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:  Wu, SG;  Jiang, MQ;  Liu, L
收藏  |  浏览/下载：109/0  |  提交时间：2019/04/08
Effect of guests on the adsorption interaction between a hydrate cage and guests 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 108, 页码: 106443-106452
作者:  Liu, Chanjuan;  Zhang, Zhengcai;  Guo, Guang-Jun
收藏  |  浏览/下载：12/0  |  提交时间：2017/10/11
Effect of guests on the adsorption interaction between a hydrate cage and guests 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 108, 页码: 106443-106452
作者:  Liu, Chanjuan;  Zhang, Zhengcai;  Guo, Guang-Jun
收藏  |  浏览/下载：14/0  |  提交时间：2017/10/11
富勒烯穿入囊泡膜的粗粒化分子动力学研究 期刊论文
2015
赵晓伟; 张建华; 柳清伙
收藏  |  浏览/下载：8/0  |  提交时间：2016/05/17

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