Redox potential replica exchange molecular dynamics at constant pH in AMBER: Implementation and validation-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Redox potential replica exchange molecular dynamics at constant pH in AMBER: Implementation and validation

Published:2018-08-21 Issue:7 Volume:149 Page:072338
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Cruzeiro Vinícius Wilian D.¹²,Amaral Marcos S.³^ORCID,Roitberg Adrian E.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA

2. CAPES Foundation, Ministry of Education of Brazil, Brasília, DF 70040-020, Brazil

3. Institute of Physics, Federal University of Mato Grosso do Sul, Campo Grande, MS 79070-900, Brazil

Funder

National Science Foundation

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5027379

Reference53 articles.

1. Electrochemical studies of porphyrin redox reactions as cytochrome models

2. Structural basis for the variation of pH-dependent redox potentials of Pseudomonas cytochromes c-551

3. The Coupling of Protonation and Reduction in Proteins with Multiple Redox Centers: Theory, Computational Method, and Application to Cytochrome c3

Cited by 18 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. Perspective on Integrative Simulations of Bioenergetic Domains;The Journal of Physical Chemistry B;2024-04-02

2. Constant-pH Simulation Methods for Biomolecular Systems;Comprehensive Computational Chemistry;2024

3. Fluctuation Relations to Calculate Protein Redox Potentials from Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2023-12-27

4. Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates;Nature Catalysis;2023-07-13

5. Structure of Geobacter cytochrome OmcZ identifies mechanism of nanowire assembly and conductivity;Nature Microbiology;2023-02-02

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