Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview

Author:

Onufriev Alexey

Publisher

Elsevier

Reference74 articles.

1. Implicit solvation models: Equilibria, structure, spectra, and dynamics;Cramer;Chem. Rev.,1999

2. Classical electrostatics in biology and chemistry;Honig;Science,1995

3. Calculation of proton binding thermodynamics in proteins;Beroza;Methods Enzymol.,1998

4. Biological applications of electrostatic calculations and Brownian dynamics;Madura;Rev. Comput. Chem.,1994

5. Theory of electrostatic interactions in macromolecules;Gilson;Curr. Opin. Struct. Biol.,1995

Cited by 99 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. Decoding the impact of solvents in altering the conversion rates and stereoselectivity in proline-catalyzed asymmetric aldol reaction;Theoretical Chemistry Accounts;2024-01-24

2. Free Energy Estimation for Drug Discovery: Background and Perspectives;Applied Computer-Aided Drug Design: Models and Methods;2023-12-07

3. DFT mechanistic study of the chemical fixation of CO2 by aziridine derivatives;Journal of Computational Chemistry;2023-11-29

4. Physics-Guided Deep Generative Model For New Ligand Discovery;Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics;2023-09-03

5. A buoyancy-assisted mechanism of scalable colloidal crystallization;Advanced Powder Technology;2023-08

同舟云学术

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