Minimization of polypeptide energy, vi. Systematic searches for low-energy conformations of deca-L-alanine and the octapeptide loop of ribonuclease.
A succession of apparent local energy minima, in which the energies decrease successively, have been located for deca-L-alanine and the octapeptide loop of ribonuclease. The lowest energy minima were approximately 40 kcal/mole lower than the highest ones. The results suggest that the computational methods used here might be of considerable use in searching for the global energy minimum of larger polypeptides.
DEPARTMENT OF CHEMISTRY, CORNELL UNIVERSITY.
K D
KD
Gibson
H A
HA
Scheraga