Computational methods for determining protein structures from NMR data.
The general procedures by which solution structures of proteins may be deduced from distance and angular constraints derived from NMR are reviewed, with an emphasis on practical aspects of the calculations. In addition, novel methods based on chemical shift calculations and on quantitative fits to nuclear Overhauser effect intensities are presented; these should provide improved understanding of the limits of our ability to simulate complex spectra, and may permit higher precision structures to be determined.
Gippert
G P
GP
Department of Molecular Biology, Research Institute of Scripps Clinic, La Jolla, CA 92037.
Yip
P F
PF
Wright
P E
PE
Case
D A
DA
D046911:Macromolecular Substances; D009682:Magnetic Resonance Spectroscopy; D008433:Mathematics; D008958:Models, Molecular; D011506:Proteins
D046911:Macromolecular Substances; D011506:Proteins