De. Zimmerman et Gt. Montelione, AUTOMATED-ANALYSIS OF NUCLEAR-MAGNETIC-RESONANCE ASSIGNMENTS FOR PROTEINS, Current opinion in structural biology, 5(5), 1995, pp. 664-673
Recent developments in protein NMR technology provide spectral data th
at are highly amenable to analysis by computer software systems. Autom
ated methods of analysis use constraint satisfaction, pseudoenergy min
imization, directed search, neural net, simulated annealing, and/or ge
netic algorithms to establish sequential links and sequence-specific a
ssignments. The most advanced systems provide automated analysis of co
mplete backbone and extensive side-chain resonance assignments for pro
teins of 50-150 amino acids.