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Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design 期刊论文
ADVANCE IN STRUCTURAL BIOINFORMATICS, 2015, 卷号: 827, 页码: 19-32
Authors:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Liu, Jiahui;  Zhao, Meixia;  Zhang, Depeng;  Mao, Yingchen;  Li, Beibei;  Ding, Yang;  Li, Guohui;  Wei, D;  Xu, Q;  Zhao, T;  Dai, H
Favorite  |  View/Download:83/0  |  Submit date:2015/11/17
Polarizable Force Field  Amoeba  Fluctuating Charge Model  Induced Point Dipole Model  Molecular Modeling  
Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 2, 页码: 551-558
Authors:  Xu, Peijun;  Shen, Hujun;  Yang, Lu;  Ding, Yang;  Li, Beibei;  Shao, Ying;  Mao, Yingchen;  Li, Guohui;  Yingchen Mao;  Li GH(李国辉)
Adobe PDF(444Kb)  |  Favorite  |  View/Download:169/49  |  Submit date:2014/09/11
Ab Initio Qm  Amoeba Force Field  Coarse-grained Model  Diffusion Coefficient  Radial Distribution Function  
基于粗粒化模型对有机溶剂的分子动力学模拟 期刊论文
物理化学学报, 2011, 卷号: X, 期号: 待补充, 页码: 001
Authors:  许佩军;  唐媛媛;  张静;  张知博;  王昆;  邵颖;  沈虎峻;  毛英臣
Adobe PDF(831Kb)  |  Favorite  |  View/Download:252/77  |  Submit date:2012/07/09