RUBIDIUM, A Program for Computer-Aided Assignment of Two-Dimensional NMR Spectra of Polypeptides

Chin Yu; Jan Fu Hwang; Tung Bo Chen; Von Wun Soo

doi:10.1021/ci00007a001

RUBIDIUM, A Program for Computer-Aided Assignment of Two-Dimensional NMR Spectra of Polypeptides

Chin Yu^*
, Jan Fu Hwang
, Tung Bo Chen
, Von Wun Soo

^*Corresponding author for this work

National Tsing Hua University

Research output: Contribution to journal › Journal Article › peer-review

10 Scopus citations

Abstract

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 ¹H 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 ¹H NMR spectrum.

Original language	English
Pages (from-to)	183-187
Number of pages	5
Journal	Journal of Chemical Information and Computer Sciences
Volume	32
Issue number	3
DOIs	https://doi.org/10.1021/ci00007a001
State	Published - 01 02 1992
Externally published	Yes

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title = "RUBIDIUM, A Program for Computer-Aided Assignment of Two-Dimensional NMR Spectra of Polypeptides",

abstract = "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 1H 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 1H NMR spectrum.",

author = "Chin Yu and Hwang, \{Jan Fu\} and Chen, \{Tung Bo\} and Soo, \{Von Wun\}",

year = "1992",

month = feb,

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doi = "10.1021/ci00007a001",

language = "英语",

volume = "32",

pages = "183--187",

journal = "Journal of Chemical Information and Computer Sciences",

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T1 - RUBIDIUM, A Program for Computer-Aided Assignment of Two-Dimensional NMR Spectra of Polypeptides

AU - Yu, Chin

AU - Hwang, Jan Fu

AU - Chen, Tung Bo

AU - Soo, Von Wun

PY - 1992/2/1

Y1 - 1992/2/1

N2 - 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 1H 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 1H NMR spectrum.

AB - 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 1H 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 1H NMR spectrum.

UR - https://www.scopus.com/pages/publications/0026855917

U2 - 10.1021/ci00007a001

DO - 10.1021/ci00007a001

M3 - 文章

C2 - 1607394

AN - SCOPUS:0026855917

SN - 0095-2338

VL - 32

SP - 183

EP - 187

JO - Journal of Chemical Information and Computer Sciences

JF - Journal of Chemical Information and Computer Sciences

IS - 3

ER -

RUBIDIUM, A Program for Computer-Aided Assignment of Two-Dimensional NMR Spectra of Polypeptides

Abstract

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