Refinement of the NMR Structures of .ALPHA.-Conotoxin MI Using Molecular Dynamics Simulation with Explicit Solvent Water and a Full Molecular Force Field.
Author:
Affiliation:
1. School of Pharmaceutical Sciences, Kitasato University
2. Development Research Institute, Daiichi Pharmaceutical Co., Ltd.
Publisher
Pharmaceutical Society of Japan
Subject
Drug Discovery,General Chemistry,General Medicine
Link
http://www.jstage.jst.go.jp/article/cpb/49/3/49_3_249/_pdf
Reference9 articles.
1. 1) Brünger A.T., “X-PLOR Manual, Version 3.1,” Yale University, New Haven, CT, U.S.A., 1993.
2. Solution structure of α-conotoxin MI determined by -NMR spectroscopy and molecular dynamics simulation with the explicit solvent water
3. Isolation and structure of a peptide toxin from the marine snail Conus magus
4. 4) The amino acid sequence of α-conotoxin MI: Gly-Arg-Cys-Cys-His-Pro-Ala-Cys-Gly-Lys-Asn-Tyr-Ser-Cys-NH2. Two disulfide bonds are formed between Cys3 and Cys8 and Cys4 and Cys14.
5. 5) Pearlman D.A., Case D.A., Caldwell J.W., Ross W.S., Cheatham T.E. III, Ferguson D.M., Seibel G.L., Singh U.C., Weiner P.K., Kollman P.A., AMBER 4.1, University of California, San Francisco, 1995.
Cited by 7 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. Solution Structure and Acid‐Base Properties of Reduced α‐Conotoxin MI;Chemistry & Biodiversity;2021-08-31
2. Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design;Current Medicinal Chemistry;2016-11-04
3. Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure;Journal of Biomolecular NMR;2012-06-20
4. Lys17 in the ‘lasso’ peptide lariatin A is responsible for anti-mycobacterial activity;Bioorganic & Medicinal Chemistry Letters;2009-05
5. Detailed Atomistic Molecular Dynamics Simulations of α-Conotoxin AuIB in Water;The Journal of Physical Chemistry B;2009-03-23
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