Studies on the antibacterial activities and molecular mechanism of GyrB inhibitors by 3D-QSAR, molecular docking and molecular dynamics simulation
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,General Chemistry
Reference72 articles.
1. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1;AbdulHameed;J. Chem. Inf. Model.,2008
2. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015
3. An artificial pathway to 3, 4-dihydroxybenzoic acid allows generation of new aminocoumarin antibiotic recognized by catechol transporters of E. coli;Alt;Chem. Biol.,2011
4. Predictive ability of regression models Part II: Selection of the best predictive PLS model;Baroni;J. Chemometrics,1992
5. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model;Bayly;J. Phys. Chemistry,1993
Cited by 3 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. Design of new dipeptide inhibitors against SARS-CoV 3CLpro: 3D-QSAR, molecular docking, MD simulation, ADMET studies and retrosynthesis strategy;Arabian Journal of Chemistry;2024-02
2. Novel antiproliferative inhibitors from salicylamide derivatives with dipeptide moieties using 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET studies;Journal of Molecular Structure;2023-06
3. 3D,2D-QSAR study and docking of novel quinazolines as potential target drugs for osteosarcoma;Frontiers in Pharmacology;2023-02-21
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