Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
http://link.springer.com/content/pdf/10.1186/1752-153X-1-21.pdf
Reference26 articles.
1. Levitt M, Hirshberg M, Sharon R, Dagget V: Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution. Comp Phys Commun. 1995, 91: 215-231. 10.1016/0010-4655(95)00049-L.
2. MacKerell A, Wiorkiewicz-Kuczera J, Karplus M: An all-atom empirical energy function for the simulation of nucleic acids. J Am Chem Soc. 1995, 117: 11946-11975. 10.1021/ja00153a017.
3. Jorgensen WL, Maxwell DS, Tirado-Rives J: Development and testing of the opls all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc. 1996, 118: 11225-11236. 10.1021/ja9621760.
4. Halgren TA: Merck molecular force field. I. Basis, form, scope, parameterization and performance of MMFF94. J Comp Chem. 1995, 17: 490-519. 10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P.
5. Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA: Development and testing of a general amber force field. J Comp Chem. 2004, 25: 1157-1174. 10.1002/jcc.20035.
Cited by 10 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. Covalent drug – An emerging framework for targeted drug development;Results in Chemistry;2024-06
2. In vitro and in silico analysis of the Anopheles anticholinesterase activity of terpenoids;Parasitology International;2023-04
3. Mechanical strength of quartz reinforced polyvinyl acetate/leaves-waste composite;Journal of Physics: Conference Series;2020-06-01
4. Covalent Versus Non-covalent Enzyme Inhibition: Which Route Should We Take? A Justification of the Good and Bad from Molecular Modelling Perspective;The Protein Journal;2020-02-18
5. A mechanistic insight into protein-ligand interaction, folding, misfolding, aggregation and inhibition of protein aggregates: An overview;International Journal of Biological Macromolecules;2018-01
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