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Automated backbone assignment of labeled proteins using the threshold accepting algorithm

Leutner, M., Gschwind, R. M., Liermann, J., Schwarz, C., Gemmecker, G. and Kessler, H. (1998) Automated backbone assignment of labeled proteins using the threshold accepting algorithm. Journal of Biomolecular NMR 11 (1), pp. 31-43.

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Abstract

The sequential assignment of backbone resonances is the first step in the structure determination of proteins by heteronuclear NMR. For larger proteins, an assignment strategy based on proton side-chain information is no longer suitable for the use in an automated procedure. Our program PASTA (Protein ASsignment by Threshold Accepting) is therefore designed to partially or fully automate the ...

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Item type:Article
Date:1998
Institutions:Chemistry and Pharmacy > Institut für Organische Chemie > Arbeitskreis Prof. Dr. Ruth Gschwind
Identification Number:
ValueType
10.1023/A:1008298226961DOI
Keywords:automated assignment; combinatorial minimization; proteins; threshold accepting
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:No
Item ID:10657
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