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

Technical Report · Sun Dec 31 00:00:00 EST 1995

OSTI ID:401850

Leishman, S; Gray, P; Fothergill, J E ^[1]

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1. Univ. of Aberdeen (United Kingdom)

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.

• Research Organization: Stanford Univ., CA (United States)
• OSTI ID: 401850
• Report Number(s): CONF-9507246-; TRN: 96:005602-0028
• 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.
• Country of Publication: United States
• Language: English

Related Subjects

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