Rapid Estimation of Relative Protein−Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA
Author:
Affiliation:
1. Abbott Laboratories, Global Pharmaceutical Research and Development, 100 Abbott Park Road, Abbott Park, Illinois 60064-6115
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci700041j
Reference79 articles.
1. Improved simulation of liquid water by molecular dynamics
2. Berendsen, H. J. C.; Postma, J. P. M.; Gunsteren, W. F. v.; Hermans, J. InIntermolecular Forces; Reidel: Dordrecht, Holland, 1981; pp 331.
3. Comparison of simple potential functions for simulating liquid water
4. Temperature and size dependence for Monte Carlo simulations of TIP4P water
5. The missing term in effective pair potentials
Cited by 53 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. Inhibition of VMAT2 by β2-adrenergic agonists, antagonists, and the atypical antipsychotic ziprasidone;Communications Biology;2022-11-23
2. Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction;Journal of Chemical Information and Modeling;2021-12-10
3. Virtual screening in drug discovery: a precious tool for a still-demanding challenge;Protein Homeostasis Diseases;2020
4. Identification of a Novel Scaffold for Inhibition of Dipeptidyl Peptidase-4;Journal of Computational Biology;2019-12-01
5. Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein;PLOS ONE;2019-03-15
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