Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

Published:2020-02-11 Issue:3 Volume:16 Page:1866-1881
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ovchinnikov Victor¹^ORCID,Conti Simone¹,Lau Edmond Y.²,Lightstone Felice C.²,Karplus Martin¹³

Affiliation:

1. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States

2. Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94551, United States

3. Laboratoire de Chimie Biophysique, ISIS, Université de Strasbourg, 67000 Strasbourg, France

Funder

Lawrence Livermore National Laboratory

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01072

Reference49 articles.

1. Molecular dynamics and protein function

2. How Fast-Folding Proteins Fold

3. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

4. Implicit solvent models

5. Improved Generalized Born Solvent Model Parameters for Protein Simulations

Cited by 9 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. Free Energy Simulations of Receptor-Binding Domain Opening of the SARS-CoV-2 Spike Indicate a Barrierless Transition with Slow Conformational Motions;The Journal of Physical Chemistry B;2023-09-27

2. Molecular Dynamics Simulations for Rationalizing Polymer Bioconjugation Strategies: Challenges, Recent Developments, and Future Opportunities;ACS Biomaterials Science & Engineering;2023-07-19

3. Computationally restoring the potency of a clinical antibody against SARS-CoV-2 Omicron subvariants;2022-10-24

4. On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations;Antibodies;2022-08-03

5. Molecular dynamics simulation: A new way to understand the functionality of the endothelial glycocalyx;Current Opinion in Structural Biology;2022-04

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