ARIA: automated NOE assignment and NMR structure calculation | Zendy

Jens P. Linge | Zendy; Michael Habeck | Zendy; Wolfgang Rieping | Zendy; Michaël Nilges | Zendy

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ARIA: automated NOE assignment and NMR structure calculation

Author(s) -

Jens P. Linge,

Michael Habeck,

Wolfgang Rieping,

Michaël Nilges

Publication year - 2003

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/19.2.315

Subject(s) - computer science , python (programming language) , bottleneck , scripting language , algorithm , programming language , embedded system

In the light of several ongoing structural genomics projects, faster and more reliable methods for structure calculation from NMR data are in great demand. The major bottleneck in the determination of solution NMR structures is the assignment of NOE peaks (nuclear Overhauser effect). Due to the high complexity of the assignment problem, most NOEs cannot be directly converted into unambiguous inter-proton distance restraints.

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