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Title: A constraint-based assignment system for automating long side chain assignments in protein 2D NMR spectra

The sequential assignment of protein 2D NMR data has been tackled by many automated and semi-automated systems. One area that these systems have not tackled is the searching of the TOCSY spectrum looking for cross peaks and chemical shift values for hydrogen nuclei that are at the end of long side chains. This paper describes our system for solving this problem using constraint logic programming and compares our constraint satisfaction algorithm to a standard backtracking version.
Authors:
; ;  [1]
  1. Univ. of Aberdeen (United Kingdom)
Publication Date:
OSTI Identifier:
401850
Report Number(s):
CONF-9507246--
TRN: 96:005602-0028
Resource Type:
Technical Report
Resource Relation:
Conference: Intelligent Systems for Molecular Biology (ISMB) conference, Cambridge (United Kingdom), 16-19 Jul 1995; Other Information: PBD: 1995; Related Information: Is Part Of ISMB-95 -- Third international conference on intelligent systems for molecular biology: Proceedings; Rawlings, C.; Clark, D.; Altman, R.; Hunter, L.; Lengauer, T.; Wodak, S. [eds.]; PB: 427 p.
Research Org:
Stanford Univ., CA (United States)
Country of Publication:
United States
Language:
English
Subject:
55 BIOLOGY AND MEDICINE, BASIC STUDIES; 99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS; 66 PHYSICS; PROTEIN STRUCTURE; NMR SPECTRA; CHEMICAL SHIFT; AUTOMATION; CHEMICAL BONDS; AMINO ACIDS