Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density
Author:
Affiliation:
1. LAAS-CNRS, Université de Toulouse, CNRS, UPS, Toulouse, France
2. Cancer Research Center of Toulouse, INSERM U1037, Université de Toulouse, 31037 Toulouse, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.9b02660
Reference64 articles.
1. Ras-effector interactions, the problem of specificity
2. The GTPase superfamily: a conserved switch for diverse cell functions
3. Modeling the mechanisms of biological GTP hydrolysis
4. Ras Conformational Ensembles, Allostery, and Signaling
5. A Cytoplasmic Protein Stimulates Normal N- ras p21 GTPase, But Does Not Affect Oncogenic Mutants
Cited by 4 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. Isomer-sourced structure iteration methods for in silico development of inhibitors: Inducing GTP-bound NRAS-Q61 oncogenic mutations to an “off-like” state;Computational and Structural Biotechnology Journal;2024-12
2. Mechanism-Based Redesign of GAP to Activate Oncogenic Ras;Journal of the American Chemical Society;2023-09-08
3. Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework;Journal of Chemical Theory and Computation;2022-07-22
4. Recent Advances in Understanding Biological GTP Hydrolysis through Molecular Simulation;ACS Omega;2020-02-28
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