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

K. D. Gibson | Zendy; Harold A. Scheraga | Zendy

Open Access

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

Author(s) -

K. D. Gibson,

Harold A. Scheraga

Publication year - 1969

Publication title -

proceedings of the national academy of sciences

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.011

H-Index - 771

eISSN - 1091-6490

pISSN - 0027-8424

DOI - 10.1073/pnas.63.1.9

Subject(s) - ribonuclease , maxima and minima , alanine , loop (graph theory) , energy (signal processing) , chemistry , low energy , mole , physics , stereochemistry , mathematics , biochemistry , combinatorics , amino acid , atomic physics , rna , mathematical analysis , quantum mechanics , gene

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.

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