Rapid parameterization of small molecules using the force field toolkit-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Rapid parameterization of small molecules using the force field toolkit

Published:2013-09-02 Issue:32 Volume:34 Page:2757-2770
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Mayne Christopher G.¹²,Saam Jan¹,Schulten Klaus¹³,Tajkhorshid Emad¹⁴,Gumbart James C.⁵

Affiliation:

1. Beckman Institute, University of Illinois at Urbana-Champaign; Urbana IL 61801

2. Department of Chemistry; University of Illinois at Urbana-Champaign; Urbana IL 61801

3. Department of Physics; University of Illinois at Urbana-Champaign; Urbana IL 61801

4. Department of Biochemistry; University of Illinois at Urbana-Champaign; Urbana IL 61801

5. School of Physics; Georgia Institute of Technology; Atlanta GA 30332

Funder

National Institutes of Health

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference53 articles.

1. Improved Treatment of the Protein Backbone in Empirical Force Fields

2. Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

3. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

4. CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations

5. CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model

Cited by 427 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. CHARMM36 All-Atom Gas Model for Lipid Nanobubble Simulation;Journal of Chemical Information and Modeling;2024-09-11

2. Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose;Proceedings of the National Academy of Sciences;2024-09-05

3. Dominant Chemical Interactions Governing the Folding Mechanism of Oligopeptides;International Journal of Molecular Sciences;2024-09-04

4. Relative genotoxicity of polycyclic aromatic hydrocarbons inferred from free energy perturbation approaches;Proceedings of the National Academy of Sciences;2024-09-03

5. Employing Metadynamics to Predict the Membrane Partitioning of Carboxy-2H-Azirine Natural Products;The Journal of Physical Chemistry B;2024-09-03

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