Community benchmarks for virtual screening
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
http://link.springer.com/content/pdf/10.1007/s10822-008-9189-4.pdf
Reference42 articles.
1. Verdonk ML, Cole JC, Hartshorn MJ, Murray CW, Taylor RD (2003) Improved protein-ligand docking using GOLD. Proteins 52:609–623
2. Abagyan RA, Totrov MM, Kuznetsov DA (1994) ICM: a new method for structure modeling and design. J Comput Chem 14:488–506
3. Meng EC, Shoichet BK, Kuntz ID (1992) Automated docking with grid-based energy evaluation. J Comput Chem 13:505–524
4. McGann MR, Almond HR, Nicholls A, Grant JA, Brown FK (2003) Gaussian docking functions. Biopolymers 68:76–90
5. Friesner RA et al (2004) Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J Med Chem 47:1739–1749
Cited by 155 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. Ligand-Based Virtual Screening as a Path to New Chemotypes for Candidate PET Radioligands for Imaging Tauopathies;Journal of Medicinal Chemistry;2024-08-07
2. Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No);Pharmaceuticals;2024-07-26
3. On the relevance of query definition in the performance of 3D ligand-based virtual screening;Journal of Computer-Aided Molecular Design;2024-04-04
4. Deep reinforcement learning enables better bias control in benchmark for virtual screening;Computers in Biology and Medicine;2024-03
5. Synthesis and Properties of New Conjugates of Isatin and Bicyclic Monoterpenes;Russian Journal of General Chemistry;2024-01
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