Paramfit: Automated optimization of force field parameters for molecular dynamics simulations
Author:
Affiliation:
1. San Diego Supercomputer Center; La Jolla California
2. Department of Chemistry and Biochemistry; UC San Diego; La Jolla California
Funder
NSF
University of California
University of California Institute for Mexico and the UnitedStates
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23775/fullpdf
Reference28 articles.
1. AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions
2. D. A. Case T. A. Darden T. E. Cheatham, III C. L. Simmerling J. Wang R. E. Duke R. Luo R. C. Walker W. Zhang K. M. Merz B. Roberts S. Hayik A. Roitberg G. Seabra J. Swails A. W. Götz I. Kolossváry K. F. Wong F. Paesani J. Vanicek R. M. Wolf J. Liu X. Wu S. R. Brozell T. Steinbrecher H. Gohlke Q. Cai X. Ye J. Wang M.-J. Hsieh G. Cui D. R. Roe D. H. Mathews M. G. Seetin University of California, San Francisco 2012
3. Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
4. A new force field for molecular mechanical simulation of nucleic acids and proteins
5. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Cited by 97 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. Integrating Newton’s equations of motion in the reciprocal space;The Journal of Chemical Physics;2024-08-26
2. Artificial intelligence in fusion protein three‐dimensional structure prediction: Review and perspective;Clinical and Translational Medicine;2024-08
3. Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study;Exploring Computational Pharmaceutics ‐ AI and Modeling in Pharma 4.0;2024-06-21
4. Pathways to a Shiny Future: Building the Foundation for Computational Physical Chemistry and Biophysics in 2050;ACS Physical Chemistry Au;2024-04-04
5. An All-Atom Force Field for Dry and Water-Lubricated Carbon Tribological Interfaces;The Journal of Physical Chemistry C;2024-03-08
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