Rescoring of docking poses under Occam’s Razor: are there simpler solutions?
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
http://link.springer.com/article/10.1007/s10822-018-0155-5/fulltext.html
Reference67 articles.
1. Pason LP, Sotriffer CA (2016) Mol Inform 35(11–12):541
2. Ain QU, Aleksandrova A, Roessler FD, Ballester PJ (2015) Wiley Interdiscip Rev Comput Mol Sci 5(6):405
3. Cleves AE, Jain AN (2015) J Comput Aided Mol Design 29(6):485
4. Lindh M, Svensson F, Schaal W, Zhang J, Skold C, Brandt P, Karlen A (2015) J Chem Inform Model 55(2):343
5. Xu WJ, Lucke AJ, Fairlie DP (2015) J Mol Graph Model 57:76
Cited by 14 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. No dance, no partner! A tale of receptor flexibility in docking and virtual screening;Virtual Screening and Drug Docking;2022
2. Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?;Pharmacological Reviews;2021-10
3. Machine Learning-Based Scoring Functions, Development and Applications with SAnDReS;Current Medicinal Chemistry;2021-04-20
4. Lean-Docking: Exploiting Ligands’ Predicted Docking Scores to Accelerate Molecular Docking;Journal of Chemical Information and Modeling;2021-04-16
5. Application of Machine Learning Techniques to Predict Binding Affinity for Drug Targets: A Study of Cyclin-Dependent Kinase 2;Current Medicinal Chemistry;2020-12-30
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