Premium
Conformational energy and circular dichroism computed for cyclo‐(Pro‐Gly) 3
Author(s) -
Madison Vincent
Publication year - 1973
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1973.360120811
Subject(s) - dihedral angle , conformational isomerism , intramolecular force , chemistry , circular dichroism , vibrational circular dichroism , crystallography , interpretation (philosophy) , potential energy , stereochemistry , hydrogen bond , molecule , physics , atomic physics , organic chemistry , computer science , programming language
An analytic cyclization procedure has allowed the complete specification of c ‐(Pro‐Gly) 3 conformation by three dihedral angles. Utilizing this simplification, the intramolecular potential energy of c ‐(Pro‐Gly) 3 has been computed over all of conformational space. Conformers with all peptide bonds trans have the lowest total potential energy. Circular dichroism spectra calculated for the low‐energy regions provide the basis for the interpretation of experimental CD spectra.