Development of a Nonlinear Classical Polarization Model for Liquid Water and Aqueous Solutions: COS/D
Author:
Affiliation:
1. Laboratory of Physical Chemistry, Swiss Federal Institute of Technology ETH, 8093 Zürich, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp903164s
Reference90 articles.
1. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
2. The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures
3. Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field
4. A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein−Ligand Interactions
5. Liquid−Vapor Interface of Methanol−Water Mixtures: A Molecular Dynamics Study
Cited by 77 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. Status and Prospects of Molecular Simulations for Drug Discovery;Journal of the Brazilian Chemical Society;2024
2. Symmetrized Drude Oscillator Force Fields Improve Numerical Performance of Polarizable Molecular Dynamics;Journal of Chemical Theory and Computation;2023-05-02
3. Computer-Aided Drug Design: An Update;Methods in Molecular Biology;2022-11-30
4. A new framework for frequency-dependent polarizable force fields;The Journal of Chemical Physics;2022-09-28
5. Harnessing Deep Learning for Optimization of Lennard-Jones Parameters for the Polarizable Classical Drude Oscillator Force Field;Journal of Chemical Theory and Computation;2022-04-01
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