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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. ; Kessler, H.



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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