机构

• 上海药物研究所 [8]

采集方式

• OAI收割 [8]

内容类型

• 期刊论文 [8]

发表日期

• 2017 [1]
• 2016 [1]
• 2012 [1]
• 2011 [1]
• 2010 [1]
• 2008 [2]
• 更多

学科主题

筛选

浏览/检索结果: 共8条，第1-8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 Computational Studies on Acetylcholinesterases 期刊论文  OAI收割 MOLECULES, 2017, 卷号: 22, 期号: 8 作者:  Xu, Yechun;  Cheng, Shanmei;  Sussman, Joel L.;  Silman, Israel;  Jiang, Hualiang   |  收藏  |  浏览/下载：33/0  |  提交时间：2019/01/08 acetylcholinesterase  computational modeling and simulation  active-site gorge  ligand trafficking  oligomer  catalytic reaction mechanism   The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex 期刊论文  OAI收割 PROTEIN SCIENCE, 2016, 卷号: 25, 期号: 6, 页码: 1096-1114 作者:  Dym, Orly;  Song, Wanling;  Felder, Clifford;  Roth, Esther;  Shnyrov, Valery   |  收藏  |  浏览/下载：23/0  |  提交时间：2019/01/08 polyethylene glycol  structure-based drug discovery  acetylcholinesterase  methylene blue  decamethonium   Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations 期刊论文  OAI收割 ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2012, 卷号: 68, 页码: 13-25 作者:  Xu, Yechun;  Li, Min-jun;  Greenblatt, Harry;  Chen, Wuyan;  Paz, Aviv   |  收藏  |  浏览/下载：25/0  |  提交时间：2019/01/08 Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations 期刊论文  OAI收割 PROTEIN SCIENCE, 2011, 卷号: 20, 期号: 7, 页码: 1114-1118 作者:  Sanson, Benoit;  Colletier, Jacques-Philippe;  Xu, Yechun;  Lang, P. Therese;  Jiang, Hualiang   |  收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08 acetylcholinesterase  X-ray crystallography  sub-domain  molecular dynamics simulations  substrate traffic  backdoor   Long Route or Shortcut? A Molecular Dynamics Study of Traffic of Thiocholine within the Active-Site Gorge of Acetylcholinesterase 期刊论文  OAI收割 BIOPHYSICAL JOURNAL, 2010, 卷号: 99, 期号: 12, 页码: 4003-4011 作者:  Xu, Yechun;  Colletier, Jacques-Philippe;  Weik, Martin;  Qin, Guangrong;  Jiang, Hualiang   |  收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08 Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics 期刊论文  OAI收割 BIOPHYSICAL JOURNAL, 2008, 卷号: 95, 期号: 5, 页码: 2500-2511 作者:  Xu, Yechun;  Colletier, Jacques-Philippe;  Weik, Martin;  Jiang, Hualiang;  Moult, John   |  收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08 Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design 期刊论文  OAI收割 PROTEIN SCIENCE, 2008, 卷号: 17, 期号: 4, 页码: 601-605 作者:  Xu, Yechun;  Colletier, Jacques Ph.;  Jiang, Hualiang;  Silman, Israel;  Sussman, Joel L.   |  收藏  |  浏览/下载：22/0  |  提交时间：2019/01/08 x-ray crystallography  protein dynamics  conformational energy landscape  ligand binding  structure-based drug design  molecular dynamics simulation  acetylcholinesterase   Structural feature of AChE inhibitor huperzine B in nature and in the binding site of AChE: Density functional theory study combined with IR determination 期刊论文  OAI收割 Journal of Theoretical and Computational Chemistry, 2002, 卷号: 1, 期号: 1, 页码: 81-92 作者:  Luo, Xiaomin;  Feng, Cheng;  Tan, Xiao-jian;  Tan, Changheng;  Zhu, Dayuan   |  收藏  |  浏览/下载：27/0  |  提交时间：2019/04/02 Density-functional Theory  Conformation  Electrostatic Potential Surface  Vibrational Spectrum