| Automated Protein Structure Elucidation From 2D NMR |
| |
| 作者姓名： | 徐峻 L. R. Brown 蔡文生 张懋森 |
| |
| 作者单位： | Research School of Chemistry，The Australian National University，GPO Box 4，Canberra，ACT 2601，Australia，Research School of Chemistry，The Australian National University，GPO Box 4，Canberra，ACT 2601，Australia，Department of Modern Chemistry，Structure Research Laboratory，University of Science & Technology of China，Hefei 230026，PRC，Department of Modern Chemistry，Structure Research Laboratory，University of Science & Technology of China，Hefei 230026，PRC |
| |
| 摘 要： | A general method for automated de novo deduction of protein structure from 2D NMR has been developed. The algorithms which extract simple spin coupling topologies from MQF-COSY, construct more complicated spin coupling topologies based upon MQ spectrum including all possible pathways, and extract spin coupling topological fragments for amino acids of a protein, have been implemented in C~(++) language and run on a SUN 4/280 work station. Compared with the manual assignments for melittin, the total identity of the automated de novo method is 86.3%.
|
Automated Protein Structure Elucidation From 2D NMR |
| |
| XU Jun,L. R. Brown,.Automated Protein Structure Elucidation From 2D NMR[J].Science in China(Chemistry),1993(5). |
| |
| Authors: | XU Jun L R Brown |
| |
| Abstract: | A general method for automated de novo deduction of protein structure from 2D NMR has been developed. The algorithms which extract simple spin coupling topologies from MQF-COSY, construct more complicated spin coupling topologies based upon MQ spectrum including all possible pathways, and extract spin coupling topological fragments for amino acids of a protein, have been implemented in C~(++) language and run on a SUN 4/280 work station. Compared with the manual assignments for melittin, the total identity of the automated de novo method is 86.3%. |
| |
| Keywords: | automated protein structure elucidation 2D NMR spin coupling topology |
| 本文献已被 CNKI 等数据库收录！ |
