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浏览/检索结果: 共5条，第1-5条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation 期刊论文 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, 卷号: 33, 期号: 12, 页码: 2606-2618 作者:  Chen, Jianzhong;  Wang, Jinan;  Zhang, Qinggang;  Chen, Kaixian;  Zhu, Weiliang 收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08 QM  MM molecular dynamics simulations  MM-GBSA method  trypsin specificity  semi-empirical Hamiltonian  binding free energies   Exploring structural and thermodynamic stabilities of human prion protein pathogenic mutants D202N, E211Q and Q217R 期刊论文 JOURNAL OF STRUCTURAL BIOLOGY, 2012, 卷号: 178, 期号: 3, 页码: 225-232 作者:  Guo, JJ;  Ren, H;  Ning, LL;  Liu, HX;  Yao, XJ 收藏  |  浏览/下载：4/0  |  提交时间：2015/12/29 Familial prion diseases  Molecular dynamics simulation  Prion protein (PrP)  D202N/E211Q/Q217R mutants  MM-GBSA method   A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation 期刊论文 computational and theoretical chemistry, 2012, 卷号: 984, 页码: 43-50 作者:  Cheng, Wei-yuan;  Chen, Jian-zhong;  Liang, Zhi-qiang;  Li, Guo-hui;  Yi, Chang-hong 收藏  |  浏览/下载：14/0  |  提交时间：2013/10/11 MD simulation  Computational alanine scanning  MM-GBSA method  p53-MDMX interaction  Cross correlation analysis   Comparative molecular dynamics simulations of histone deacetylase-like protein: binding modes and free energy analysis to hydroxamic acid inhibitors 期刊论文 Proteins-structure function and bioinformatics, 2008, 卷号: 73, 期号: 1, 页码: 134-149 作者:  Yan, Chunli;  Xiu, Zhilong;  Li, Xiaohui;  Li, Shenmin;  Hao, Ce 收藏  |  浏览/下载：18/0  |  提交时间：2019/05/09 Histone deacetylase  Histone deacetylase-like protein  Molecular dynamics simulation  Molecular mechanics-poisson-boltzmann surface area (mm-pbsa) method  Molecular mechanics generalized born surface area (mm-gbsa)  Mutagenesis  Hydroxamic acid inhibitor   Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors 期刊论文 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 卷号: 73, 页码: 134-149 作者:  Yan, Chunli;  Xiu, Zhilong;  Li, Xiaohui;  Li, Shenmin;  Hao, Ce 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/27 histone deacetylase  histone deacetylase-like protein  molecular dynamics simulation  molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) method  molecular mechanics generalized Born surface area (MM-GBSA)  mutagenesis  hydroxamic acid inhibitor