Accounting for electronic polarization in non-polarizable force fields
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2011/CP/C0CP01971B
Reference69 articles.
1. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
2. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
3. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
4. The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
5. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
Cited by 395 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. Effect of ethylene oxide groups on calcite wettability reversal by nonionic surfactants: An experimental and molecular dynamics simulation investigation;Journal of Colloid and Interface Science;2024-12
2. Effect of Protein-Polarized Ligand Charges on Relative Protein Ligand Binding Affinities;Journal of Chemical Theory and Computation;2024-09-11
3. Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions;Journal of Chemical Information and Modeling;2024-09-09
4. Dressing a Nonpolarizable Force Field for OH– in TIP4P/2005 Aqueous Solutions with Corrected Hirshfeld Charges;The Journal of Physical Chemistry Letters;2024-09-09
5. Calcium Binding Affinity in the Mutational Landscape of Troponin-C: Free Energy Calculation, Co-evolution modeling and Machine Learning;2024-09-09
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