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

Brunner, Konrad, Gronwald, Wolfram, Fischer, A., Trenner, J., Neidig, K.-P. and Kalbitzer, Hans Robert (2008) Automatic Sequential NOESY Assignment and NMR Structure Improvement by X-Ray. In: Hansmann, U. and Meinke, J., (eds.) From Computational Biophysics to Systems Biology (CBSB08). Proceedings of the NIC Workshop 2008. NIC series, 40. John von Neumann Institute for Computing, Jülich, pp. 173-176. ISBN 978-3-9810843-6-8.

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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 ...


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Item type:Book section
Institutions:Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer
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Dewey Decimal Classification:500 Science > 570 Life sciences
600 Technology > 610 Medical sciences Medicine
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:34533
Owner only: item control page


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