Quantum mechanical calculations on biological systems
Author:
Publisher
Elsevier BV
Subject
Molecular Biology,Structural Biology
Reference58 articles.
1. Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase;Hernandez;J Comput Aided Mol Des,1997
2. Conformational and solvation aspects of the chorismate-perphenate rearrangement studies by ab initio electronic structure and simulation methods;Davidson;J Chem Soc Perkin Trans,1997
3. A conformational study of 2-oxanol: insight into the role of ring distortion on enzyme-catalyzed glycosidic bond cleavage;Smith;J Am Chem Soc,1997
4. Conformational analysis of carbonic anhydrase inhibitors using ab initio molecular orbital methods. 1. Rotational isomerism in methan esulfonamide anion, CH3-SO2-NH;Murcko;Theor Chem Acc,1997
5. An ab Initio Computational Molecular Orbital Study of Radical, Protonated Radical (Radical Cation), and Carbocation Species That Have Been Proposed in Mechanisms for the Transfer Process in the Enzyme−Coenzyme B12-Catalyzed Dehydration of 1,2-Dihydroxyethane
Cited by 110 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. Molecular engineering of π-extended viologens consisting of oxadiazoles-based bridges for highly stable electrochromic devices;Journal of Molecular Structure;2024-09
2. Introduction to Computational Quantum Chemistry for Computer Scientists;2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW);2024-05-27
3. Design, synthesis, and computational studies of novel imidazo[1,2-a]pyrimidine derivatives as potential dual inhibitors of hACE2 and spike protein for blocking SARS-CoV-2 cell entry;Journal of Molecular Structure;2023-08
4. Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2;Journal of Molecular Structure;2023-01
5. Multiscale strategies for describing environment effects: From solvents to biomatrices;Green Chemistry and Computational Chemistry;2022
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