Computational chemistry in drug lead discovery and design
Author:
Affiliation:
1. Laboratory of Computational Chemistry and Drug Design, Instituto de Investigación en Biomedicina de Buenos Aires ‐ CONICET ‐ Partner Institute of the Max Planck Society, Godoy Cruz 2390, C1425FQD, Bs. As.Argentina
Funder
Consejo Nacional de Investigaciones Científicas y Técnicas
Agencia Nacional de Promoción Científica y Tecnológica
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25678
Reference207 articles.
1. The DNA-encoded nucleosome organization of a eukaryotic genome
2. What recent ribosome structures have revealed about the mechanism of translation
3. Systems Biology: A Brief Overview
4. Drug Discovery: A Historical Perspective
5. Critical review of the role of HTS in drug discovery
Cited by 49 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. Binding Free Energy Calculation Based on the Fragment Molecular Orbital Method and Its Application in Designing Novel SHP-2 Allosteric Inhibitors;International Journal of Molecular Sciences;2024-01-04
2. Molecular level investigation of interactions between pharmaceuticals and β-cyclodextrin (β-CD) functionalized adsorption sites for removal of pharmaceutical contaminants from water;Chemosphere;2024-01
3. New nicotinamide derivatives as potential anticancer agents targeting VEGFR-2: design, synthesis, in vitro , and in silico studies;Journal of Biomolecular Structure and Dynamics;2023-12-15
4. In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase;Chemico-Biological Interactions;2023-12
5. PubChemQC B3LYP/6-31G*//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G* Calculations;Journal of Chemical Information and Modeling;2023-09-07
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