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浏览/检索结果: 共25条，第1-10条 帮助 限定条件 学科主题：物理化学     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文 journal of chemical physics, 2014, 卷号: 141, 期号: 23, 页码: 235101 作者:  Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li 收藏  |  浏览/下载：16/0  |  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：25/0  |  提交时间：2015/11/16 Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials 期刊论文 journal of chemical theory and computation, 2014, 卷号: 10, 期号: 2, 页码: 731-750 作者:  Shen, Hujun;  Li, Yan;  Ren, Pengyu;  Zhang, Dinglin;  Li, Guohui 收藏  |  浏览/下载：18/0  |  提交时间：2015/11/16 Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists 期刊论文 biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22 作者:  Zhang, Lihui;  Liu, Tianjun;  Wang, Xia;  Wang, Jinan;  Li, Guohui 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16 Pyrimidine derivatives  Human A(2A) adenosine receptor  Molecular docking  Molecular dynamics  Thermodynamic analysis  3D-QSAR   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：23/0  |  提交时间：2014/09/11 Aurora A  molecular dynamics simulations  MM-PB/GBSA   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 DNA repair enzymes  molecular dynamics  non-heme iron  crystal packing  protein-DNA interaction   A six-plex proteome quantification strategy reveals the dynamics of protein turnover 期刊论文 scientific reports, 2013, 卷号: 3, 页码: 18271 作者:  Wang, Fangjun;  Cheng, Kai;  Wei, Xiaoluan;  Qin, Hongqiang;  Chen, Rui 收藏  |  浏览/下载：15/0  |  提交时间：2013/10/11 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 Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins 期刊论文 current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2308-2317 作者:  Wu, Xue;  Shi, Yue;  Ren, Pengyu;  Wang, Deping;  Li, Guohui 收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11 Molecular dynamics simulation DARPins protein drug  dynamical cross correlation stability   Exploring the Proton Conductance and Drug Resistance of BM2 Channel through Molecular Dynamics Simulations and Free Energy Calculations at Different pH Conditions 期刊论文 journal of physical chemistry b, 2013, 卷号: 117, 期号: 4, 页码: 982-988 作者:  Zhang, Yuxin;  Shen, Hujun;  Zhang, Mingbo;  Li, Guohui 收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11