RUBIDIUM, A PROGRAM FOR COMPUTER-AIDED ASSIGNMENT OF 2-DIMENSIONAL NMR-SPECTRA OF POLYPEPTIDES

被引：9

作者：

CHIN, Y ^{[1
]}

HWANG, JF ^{[1
]}

CHEN, TB ^{[1
]}

SOO, VW ^{[1
]}

机构：

[1] NATL TSING HUA UNIV,DEPT COMP SCI,HSINCHU 30043,TAIWAN

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1992年 / 32卷 / 03期

关键词：

D O I：

10.1021/ci00007a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Taking advantage of the rule-based expert system technology, a program named RUBIDIUM (Rule-Based Identification In 2D NMR Spectrum) was developed to accomplish the automatic H-1 NMR resonance assignments of polypeptides. Besides noise elimination and peak selection capabilities, RUBIDIUM detects the cross-peak patterns of amino acid residues in the COSY spectrum, assigning these patterns to amino acid types, performing sequential assignments using combined COSY/NOESY spectra, and finally, achieving the total assignment of the H-1 NMR spectrum.

引用

页码：183 / 187

页数：5

共 24 条

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