Three-dimensional structures of proteins in solution can be calculated on the basis of conformational restraints derived from NMR measurements. This chapter gives an overview of the computational methods pertinent to NMR protein structure analysis. The most widely used algorithms based on simulated annealing by molecular dynamics simulation in torsion angle space and the automated assignment of NOE distance restraints are presented, as well as non-classical approaches and fully automated NMR protein structure analysis.
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