Range-Separated DFT Functionals are Necessary to Model Thio-Michael Additions
Author:
Affiliation:
1. Department of Chemistry, Memorial University of Newfoundland, St. John’s, Newfoundland A1B 3X7, Canada
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/ct400773k
Reference52 articles.
1. Asymmetric Sulfa-Michael Additions
2. Michael addition reactions in macromolecular design for emerging technologies
3. 15-Deoxy-Delta 12,14-prostaglandin J2 inhibits multiple steps in the NF-kappa B signaling pathway
4. Covalent Modifiers: An Orthogonal Approach to Drug Design
5. Reversible Covalent Inhibition of a Protein Target
Cited by 70 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. Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors;Journal of Chemical Information and Modeling;2024-09-12
2. QM/MM Simulations of Afatinib-EGFR Addition: The Role of β-Dimethylaminomethyl Substitution;Journal of Chemical Theory and Computation;2024-06-15
3. Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design;Journal of Computer-Aided Molecular Design;2024-05-01
4. QM/MM simulations of EFGR with afatinib reveal the role of theβ-dimethylaminomethyl substitution;2024-02-21
5. Unraveling the parahormetic mechanism underlying the health-protecting effects of grapeseed procyanidins;Redox Biology;2024-02
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