Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry
Link
http://www.nature.com/articles/ncomms8653.pdf
Reference73 articles.
1. Bleicher, K. H., Bohm, H., Muller, K. & Alanine, A. Hit and lead generation: beyond high-throughput screening. Nat. Rev. Drug Discov. 2, 369–378 (2003).
2. Jorgensen, W. L. The many roles of computation in drug discovery. Science 303, 1813–1818 (2004).
3. Guo, D., Mulder-Krieger, T., Ijzerman, A. P. & Heitman, L. H. Functional efficacy of adenosine A2A receptor agonists is positively correlated to their receptor residence time. Br. J. Pharmacol. 166, 1846–1859 (2012).
4. Colquhoun, D. & Sakmann, B. Fast events in single-channel currents activated by acetylcholine and its analogues at the frog muscle end-plate. J. Physiol. 369, 501–557 (1985).
5. Blatz, A. L. & Magleby, K. L. Quantitative description of three modes of activity of fast chloride channels from rat skeletal muscle. J. Physiol. 378, 141–174 (1986).
Cited by 349 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. A water-resistant egg white/chitosan/pectin blending film with spherical-linear molecular interpenetrating network strengthened by multifunctional tannin-nisin nanoparticles;International Journal of Biological Macromolecules;2024-10
2. Structures, dynamics, complexes, and functions: From classic computation to artificial intelligence;Current Opinion in Structural Biology;2024-08
3. Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides;Journal of Chemical Theory and Computation;2024-07-13
4. Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites;Journal of Chemical Theory and Computation;2024-07-09
5. Capturing the Effects of Single Atom Substitutions on the Inhibition Efficiency of Glycogen Synthase Kinase-3β Inhibitors via Markov State Modeling and Experiments;Journal of Chemical Theory and Computation;2024-07-08
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