Automatic Sequential NOESY Assignment and NMR Structure Improvement by X-Ray

URN to cite this document:: urn:nbn:de:bvb:355-epub-345337

Brunner, Konrad ; Gronwald, Wolfram ; Fischer, A. ; Trenner, J. ; Neidig, K.-P. ; Kalbitzer, Hans Robert

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Date of publication of this fulltext: 07 Sep 2016 07:52

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Abstract

We are developing AUREMOL1 (www.auremol.de), which goal is the reliable and automatic structure determination of biological macro molecules such as proteins from NMR data. For a fully automatic sequential NOESY assignment the tool ASSIGN2 has been developed. The required input consists of a homologous structure for a NOESY spectrum simulation and the experimental NOESY spectrum. ASSIGN fits the ...