All-atom adaptively biased path optimization of Src kinase conformational inactivation: Switched electrostatic network in the concerted motion of αC helix and the activation loop
Author:
Affiliation:
1. Department of Medicinal Chemistry and Molecular Pharmacology, Markey Center for Structural Biology, Purdue Center for Cancer Research, Purdue University, West Lafayette, Indiana 47907, USA
Funder
National Institute of General Medical Sciences
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0021603
Reference47 articles.
1. Complete protein–protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling
2. Markov State Models: From an Art to a Science
3. Atomic-Level Characterization of the Structural Dynamics of Proteins
4. Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain
5. Molecular mechanism of biased signaling in a prototypical G protein–coupled receptor
Cited by 7 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. Evolutionary divergence in the conformational landscapes of tyrosine vs serine/threonine kinases;eLife;2022-12-23
2. Evolutionary Divergence in the Conformational Landscapes of Tyrosine vs Serine/Threonine Kinases;2022-08-29
3. Identifying a Feasible Transition Pathway between Two Conformational States for a Protein;Journal of Chemical Theory and Computation;2022-06-20
4. A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls;Journal of Chemical Theory and Computation;2022-02-09
5. Activation of Abl1 Kinase Explored Using Well-Tempered Metadynamics Simulations on an Essential Dynamics Sampled Path;Journal of Chemical Theory and Computation;2021-10-14
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