Literature DB >> 7504680

Automation of protein 2D proton NMR assignment by means of fuzzy mathematics and graph theory.

J Xu1, S K Straus, B C Sanctuary, L Trimble.   

Abstract

The novel methodology for protein 2D NMR assignment presented in this paper is based upon protein spin coupling graph theory analysis, fuzzy graph pattern recognition, and tree searching. The method required to formalize the whole assignment procedure into a logical system which can be properly processed by computer software is also discussed. Solutions for peak overlaps, spin coupling network overlaps, and details related to the automated assignment of BPTI are reported as well.

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Year:  1993        PMID： 7504680     DOI： 10.1021/ci00015a004

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


  3 in total

1.  Probabilistic Identification of Spin Systems and their Assignments including Coil-Helix Inference as Output (PISTACHIO).

Authors:  Hamid R Eghbalnia; Arash Bahrami; Liya Wang; Amir Assadi; John L Markley
Journal:  J Biomol NMR       Date:  2005-07       Impact factor: 2.835

Review 2.  Automated structure determination from NMR spectra.

Authors:  Peter Güntert
Journal:  Eur Biophys J       Date:  2008-09-20       Impact factor: 1.733

3.  Computer-assisted assignment of peptides with non-standard amino acids.

Authors:  J Xu; P L Weber; P N Borer
Journal:  J Biomol NMR       Date:  1995-02       Impact factor: 2.835
  3 in total

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