[Global optimization of the conformational energy of oligopeptides using a tunnel algorithm].
The tunneling algorithm has been suggested as a method for the searching of the low energy conformations of the oligopeptides. The efficiency of the method has been compared with other global energy minimization methods such as grid search and molecular dynamics. It has been shown that tunneling algorithm reached global minimum of potential energy of the molecule of 3-4 residues more effectively than other methods. Experiments with oligopeptides of more than 4 residues showed that although during reasonable time tunneling algorithm does not reach the global minimum it can very effectively find the low energy minimum.
Petukhov
M G
MG
Dorofeev
V E
VE
Abagian
R A
RA
Mazur
A K
AK
D000465:Algorithms; D008958:Models, Molecular; D009842:Oligopeptides / Q000737:chemistry*; D011487:Protein Conformation
D009842:Oligopeptides
Global'naia optimizatsiia konformatsionnoĭ énergii oligopeptidov s pomoshch'iu tunnel'nogo algoritma.