Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

Published:2013-08-20 Issue:9 Volume:9 Page:3878-3888
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Salomon-Ferrer Romelia¹,Götz Andreas W.¹,Poole Duncan²,Le Grand Scott²,Walker Ross C.¹³

Affiliation:

1. San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093, United States

2. NVIDIA Corporation, 2701 San Tomas Expressway, Santa Clara, California 95050, United States

3. Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400314y

Reference52 articles.

1. Recent progress in the study of G protein-coupled receptors with molecular dynamics computer simulations

2. Glycosyldisulfides from dynamic combinatorial libraries as O-glycoside mimetics for plant and endogenous lectins: Their reactivities in solid-phase and cell assays and conformational analysis by molecular dynamics simulations

3. High-throughput molecular dynamics: the powerful new tool for drug discovery

4. Reaching biological timescales with all-atom molecular dynamics simulations

Cited by 2692 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. Synthesis ADMET molecular docking, MD simulation and MM-PBSA investigations of a novel hetero-steroid with Anti-proliferative and Anti-inflammatory properties;Journal of Molecular Structure;2025-02

2. Multiscale calculations reveal new insights into the reaction mechanism between KRASG12C and α, β-unsaturated carbonyl of covalent inhibitors;Computational and Structural Biotechnology Journal;2024-12

3. Molecular modeling study to unravel complexation of daclatasvir and its enantiomer by β-cyclodextrins. Computational analysis using quantum mechanics and molecular dynamics;Carbohydrate Polymers;2024-12

4. Disrupting protease and deubiquitinase activities of SARS-CoV-2 papain-like protease by natural and synthetic products discovered through multiple computational and biochemical approaches;International Journal of Biological Macromolecules;2024-10

5. Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design;Carbohydrate Polymers;2024-10

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