Formalisms for the Explicit Inclusion of Electronic Polarizability in Molecular Modeling and Dynamics Studies
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-1-4020-9956-4_9
Reference221 articles.
1. Ponder JW, Case DA (2003) Force fields for protein simulations. In: Daggett V, Eisendberg DS, Richards FM, Kuriyan J (eds) Protein Simulations, vol 66. Elsevier Academic Press, New York, pp 27–86
2. Mackerell AD (2004) Empirical force fields for biological macromolecules: Overview and issues. J Comput Chem 25(13):1584–1604
3. Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79(2):926
4. Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) A 2nd generation force-field for the simulation of proteins, nucleic-acids, and organic-molecules. J Am Chem Soc 117(19):5179–5197
5. MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FTK, Mattos C, Michnick S, Ngo T, Nguyen DT, Prodhom B, Reiher WE, Roux B, Schlenkrich M, Smith JC, Stote R, Straub J, Watanabe M, Wiorkiewicz-Kuczera J, Yin D, Karplus M (1998) All-atom empirical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B 102(18):3586–3616
Cited by 5 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. Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons;The Journal of Physical Chemistry B;2017-09-18
2. Force-Field Representation of Biomolecular Systems;In Silico Drug Discovery and Design;2015-08-06
3. CHARMM additive and polarizable force fields for biophysics and computer-aided drug design;Biochimica et Biophysica Acta (BBA) - General Subjects;2015-05
4. Current Status of Protein Force Fields for Molecular Dynamics Simulations;Methods in Molecular Biology;2014-09-03
5. All-atom polarizable force field for DNA based on the classical drude oscillator model;Journal of Computational Chemistry;2014-04-18
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