ARIA: automated NOE assignment and NMR structure calculation

Jens P. Linge, Michael Habeck, Wolfgang Rieping, Michael Nilges

Abstract: : 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.