Ambiguous distance data in the calculation of NMR structures.
The use of molecular dynamics for simulated annealing optimization of structures calculated from NMR data is reviewed. I focus on ways of directly using and automatically assigning ambiguous peaks from nuclear Overhauser enhancement experiments during the structure calculation.
Nilges
M
M
European Molecular Biology Laboratory, Heidelberg, Federal Republic of Germany. nilges@EMBL-Heidelberg.de
D009682:Magnetic Resonance Spectroscopy; D011487:Protein Conformation