An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design
Author:
Affiliation:
1. Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri 63110, United States
Funder
National Institute of General Medical Sciences
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/acs.jcim.5b00603
Reference87 articles.
1. Virtual screening of chemical libraries
2. Molecular Docking
3. Virtual Screening for Lead Discovery
4. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
5. Small Molecule Docking and Scoring
Cited by 45 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. Improving protein-ligand docking results using the Semiempirical quantum mechanics: testing on the PDBbind 2016 core set;Journal of Biomolecular Structure and Dynamics;2024-01-02
2. In Silico Approaches in Pesticides;Trends and Innovations in Energetic Sources, Functional Compounds and Biotechnology;2023-12-01
3. Modified N-acyl-L-homoserine lactone compounds abrogate Las-dependent quorum-sensing response in human pathogen Pseudomonas aeruginosa;Frontiers in Molecular Biosciences;2023-10-16
4. 1,2,3-Triazolo[4,5-b]aminoquinolines: Design, synthesis, structure, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activity, and molecular docking of novel modified tacrines;Bioorganic Chemistry;2023-10
5. Identification of Potential Anti‐COVID‐19 Drug Leads from Medicinal Plants through Virtual High‐Throughput Screening;ChemistrySelect;2023-02-13
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