Experimental Verification of Force Fields for Molecular Dynamics Simulations Using Gly-Pro-Gly-Gly
Author:
Affiliation:
1. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp101581h
Reference98 articles.
1. A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides
2. Modern protein force fields behave comparably in molecular dynamics simulations
3. Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution
4. Conformational Dynamics of Trialanine in Water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS Force Fields to NMR and Infrared Experiments
5. Empirical force fields for biological macromolecules: Overview and issues
Cited by 42 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. Intrinsic proclivity of left-handed conformation in large Nest motif peptides inferred from molecular dynamics;Journal of Biomolecular Structure and Dynamics;2023-07-18
2. Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity;Journal of Chemical Theory and Computation;2021-09-15
3. Comparisons of different force fields in conformational analysis and searching of organic molecules: A review;Tetrahedron;2021-01
4. Investigating targets for neuropharmacological intervention by molecular dynamics simulations;Biochemical Society Transactions;2019-05-13
5. Molecular simulation of peptides coming of age: Accurate prediction of folding, dynamics and structures;Archives of Biochemistry and Biophysics;2019-03
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