MINIMIZATION OF POLYPEPTIDE ENERGY VI. SYSTEMATIC SEARCHES FOR LOW-ENERGY CONFORMATIONS OF DECA-L-ALANINE AND THE OCTAPEPTIDE LOOP OF RIBONUCLEASE

摘要

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.