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.
authors.affiliation: Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan, Republic of China.
authors.forename: C
authors.initials: C
authors.lastname: Yu
authors.forename: J F
authors.initials: JF
authors.lastname: Hwang
authors.forename: T B
authors.initials: TB
authors.lastname: Chen
authors.forename: V W
authors.initials: VW
authors.lastname: Soo
mesh_terms: D000595:Amino Acid Sequence; D005103:Expert Systems; D009682:Magnetic Resonance Spectroscopy; D008969:Molecular Sequence Data; D010121:Oxytocin / Q000737:chemistry*; D011487:Protein Conformation; D012984:Software; D014667:Vasopressins / Q000737:chemistry*
chemical_list: D014667:Vasopressins; D010121:Oxytocin