Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design
Author:
Publisher
Wiley
Subject
Molecular Biology,Biochemistry
Reference28 articles.
1. Interaction Models for Water in Relation to Protein Hydration
2. Molecular dynamics with coupling to an external bath;Berendsen;J. Chem. Phys.,1984
3. GROMACS: A message-passing parallel molecular dynamics implementation;Berendsen;Comput. Phys. Commun.,1995
4. Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation;Bourne;Proc. Natl. Acad. Sci.,2004
5. Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor;Colletier;J. Am. Chem. Soc.,2006
Cited by 48 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Novichok Nerve Agents as Inhibitors of Acetylcholinesterase—In Silico Study of Their Non-Covalent Binding Affinity;Molecules;2024-01-09
2. Emergence of Single- versus Multi-State Allostery;PRX Life;2023-11-09
3. Design, Synthesis, Biological Activity, and Molecular Modeling of Novel Spiroquinazoline Derivatives as Acetylcholinesterase Inhibitors for Alzheimer Disease;Polycyclic Aromatic Compounds;2022-11-15
4. Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations;Molecules;2022-05-16
5. Theoretical and experimental investigation of thiourea derivatives: synthesis, crystal structure, in-silico and in-vitro biological evaluation;Bulletin of the Chemical Society of Ethiopia;2022-01-31
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3