Protein-Ligand Binding Affinity Predictions by Implicit Solvent Simulations: A Tool for Lead Optimization?
Author:
Affiliation:
1. School of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, United Kingdom, and Astex Therapeutics, Ltd., 436 Cambridge Science Park, Cambridge, CB4 0QA, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm061021s
Reference79 articles.
1. Recent Advances in Docking and Scoring
2. Evidence for kinks in DNA folding in the nucleosome
Cited by 86 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. Peptide Drug Design Using Alchemical Free Energy Calculation: An Application and Validation on Agonists of Ghrelin Receptor;Journal of Chemical Information and Modeling;2024-06-05
2. Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method;Journal of Computational Chemistry;2023-02-21
3. Molecular Docking: Metamorphosis in Drug Discovery;Biomedical Engineering;2023-01-25
4. An In-Silico Approach to Evaluate the Inhibitory Potency of Selected Hydroxamic Acid Derivatives on Zinc-Dependent Histone Deacetylase Enzyme;Journal of Computational Biophysics and Chemistry;2021-09
5. Molecular Docking in Drug Discovery;Journal of Pharmaceutical Research International;2021-06-03
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