Fast Screening of Inhibitor Binding/Unbinding Using Novel Software Tool CaverDock
Author:
Publisher
Frontiers Media SA
Subject
General Chemistry
Reference74 articles.
1. Integration of virtual and high-throughput screening;Bajorath;Nat. Rev. Drug Discov.,2002
2. The protein data bank;Berman;Nucleic Acids Res.,2000
3. Virtual screening strategies in drug design – methods and applications;Bielska;BioTechnologia,2014
4. Hit and lead generation: beyond high-throughput screening;Bleicher;Nat. Rev. Drug Discov.,2003
5. Development and application of a virtual screening protocol for the identification of multitarget fragments;Bottegoni;ChemMedChem,2016
Cited by 22 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. Reinforcing Tunnel Network Exploration in Proteins Using Gaussian Accelerated Molecular Dynamics;Journal of Chemical Information and Modeling;2024-08-15
2. Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological efficacy, and retrosynthesis;Journal of Biomolecular Structure and Dynamics;2024-02-14
3. Exploring of a Potential Breast Cancer Based on Isoxazole Derivatives: An Integrated In-Silico Methods;2024
4. pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support;Bioinformatics;2023-07-20
5. Structure-Oriented Engineering of Amidase: Modification of Twisted Access Tunnel for Efficient Synthesis of 2-Chloronicotinic Acid;ACS Catalysis;2023-06-26
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