Gibson K D, Scheraga H A
DEPARTMENT OF CHEMISTRY, CORNELL UNIVERSITY.
Proc Natl Acad Sci U S A. 1969 May;63(1):9-15. doi: 10.1073/pnas.63.1.9.
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.
对于十聚-L-丙氨酸和核糖核酸酶的八肽环,已经找到了一系列明显的局部能量极小值,其中能量依次降低。最低能量极小值比最高能量极小值低约40千卡/摩尔。结果表明,这里使用的计算方法在寻找更大多肽的全局能量最小值方面可能有相当大的用途。