机构

• 上海药物研究所 [6]
• 生物物理研究所 [1]
• 理论物理研究所 [1]
• 大连化学物理研究所 [1]
• 高能物理研究所 [1]

采集方式

• OAI收割 [10]

内容类型

• 期刊论文 [10]

发表日期

• 2020 [1]
• 2017 [1]
• 2016 [1]
• 2012 [1]
• 2009 [2]
• 2008 [2]
• 更多

学科主题

• Biochemist... [1]
• Physics [1]
• 物理化学 [1]

筛选

浏览/检索结果: 共10条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang   |  收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD)  binding affinity  HIV-1 protease  semi-empirical quantum mechanics   Anisotropic formation mechanism and nanomechanics for the self-assembly process of cross-beta peptides 期刊论文  OAI收割 CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 12, 页码: 128701 作者:  Deng, L;  Zhao, YR;  Zhou, P;  Xu, H;  Wang, YT   |  收藏  |  浏览/下载：34/0  |  提交时间：2018/12/26 STEERED MOLECULAR-DYNAMICS  ATOMIC-FORCE MICROSCOPY  PARTICLE MESH EWALD  AMYLOID FIBRILS  FREE-ENERGY  INTERMOLECULAR FORCES  MONTE-CARLO  NANOTUBES  SYSTEMS  SIMULATIONS   Effects of ligand binding on the mechanical stability of protein GB1 studied by steered molecular dynamics simulation 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 8 作者:  Su, JG;  Zhao, SX;  Wang XF(王晓峰);  Li JY(李敬源);  Wang, XF   |  收藏  |  浏览/下载：29/0  |  提交时间：2017/07/24 Protein mechanics  Mechanical unfolding  Allosteric regulation  Force-bearing  Ligand binding  Steered molecular dynamics simulation   Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein 期刊论文  OAI收割 amino acids, 2012, 卷号: 43, 期号: 2, 页码: 557-565 作者:  Zhao, Guang-Jiu;  Cheng, Chang-Li 收藏  |  浏览/下载：30/0  |  提交时间：2013/10/11 Protein folding  Protein unfolding  Hydrogen bond  Beta-hairpin  Steered molecular dynamics   A steered molecular dynamics method with adaptive direction on adjustments 期刊论文  OAI收割 BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2009, 卷号: 379, 期号: 2, 页码: 494-498 作者:  Yang, Kun;  Liu, Xinli;  Wang, Xicheng;  Jiang, Hualiang   |  收藏  |  浏览/下载：23/0  |  提交时间：2019/01/08 Steered molecular dynamics  Dissociation pathway  Genetic algorithm  Information entropy  Metyrapone-P450 3A4 complex   Force-induced unfolding of human telomeric G-quadruplex: A steered molecular dynamics simulation study 期刊论文  OAI收割 BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2009, 卷号: 379, 期号: 1, 页码: 70-75 Li, Hui; Cao, Enhua; 曹恩华; Gisler, Thomas 收藏  |  浏览/下载：85/0  |  提交时间：2013/12/25 G-quadruplex  Unfolding  Steered molecular dynamics simulation  Single-molecule force spectrum  Intermediate state   The type IA topoisomerase catalytic cycle: A normal mode analysis and molecular dynamics simulation 期刊论文  OAI收割 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 卷号: 71, 期号: 4, 页码: 1984-1994 作者:  Xiong, Bing;  Burk, David L.;  Shen, Jianhua;  Luo, Xiaomin;  Liu, Hong   |  收藏  |  浏览/下载：22/0  |  提交时间：2019/01/08 topoisomerase III  normal mode  steered molecular dynamics  correlation map  protein-DNA interaction  MM-PBSA   A steered molecular dynamics method with direction optimization and its applications on ligand molecule dissociation 期刊论文  OAI收割 JOURNAL OF BIOCHEMICAL AND BIOPHYSICAL METHODS, 2008, 卷号: 70, 期号: 6, 页码: 857-864 作者:  Liu, Xinli;  Wang, Xicheng;  Jiang, Huangliang   |  收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08 steered molecular dynamics  molecular dissociation  genetic algorithm  metyrapone-P450 3A4 complex   Steered molecular dynamics simulations of protein-ligand interactions 期刊论文  OAI收割 SCIENCE IN CHINA SERIES B-CHEMISTRY, 2004, 卷号: 47, 期号: 5, 页码: 355-366 作者:  Xu, YC;  Shen, JH;  Luo, XM;  Shen, X;  Chen, KX   |  收藏  |  浏览/下载：33/0  |  提交时间：2019/01/08 molecular dynamics simulation  steered molecular dynamics simulation  atomic force microscope  avidin  biotin  huperzine A  acetylcholinesterase  HIV-1 reverse transcriptas  non-nucleoside RT inhibitor   Mutagenesis and molecular dynamics suggest structural and functional roles for residues in the N-terminal portion of the cytochrome P4502B1Ihelix 期刊论文  OAI收割 ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, 2004, 卷号: 423, 期号: 2, 页码: 266-276 作者:  Scott, EE;  Liu, H;  He, YQ;  Li, WH;  Halpert, JR   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08 cytochrome p450  monooxygenase  site-directed mutagenesis  steered molecular dynamics  substrate access