Computational Protocol to Evaluate Side-Chain Vicinal Spin–Spin Coupling Constants and Karplus Equation in Amino Acids: Alanine Dipeptide Model
Author:
Affiliation:
1. Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid, Spain
Funder
Comunidad de Madrid
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00131
Reference76 articles.
1. Intrinsically unstructured proteins: re-assessing the protein structure-function paradigm
2. Sixty-five years of the long march in protein secondary structure prediction: the final stretch?
3. NMR with Proteins and Nucleic Acids
Cited by 5 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. The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates;Glycobiology;2022-11-02
2. Searching conformational analysis of Asp residues through theoretical 3 J vicinal coupling constants and Karplus equations;International Journal of Quantum Chemistry;2022-07-09
3. Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation;Journal of Chemical Information and Modeling;2021-11-11
4. Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin;Briefings in Bioinformatics;2021-02-11
5. Combining Experimental Data and Computational Methods for the Non-Computer Specialist;Molecules;2020-10-18
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