ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The optical activity of oligopeptides in the conformation of the right-handed α-helix was calculated by the direct semiempirical quantum chemical CNDO/OPTIC method. The oligomers of glycine and alanine from dimer up to pentamer were considered. The comparison with results obtained using the model of interacting groups (MIG) based on the perturbation approach was carried out. The calculational results show that the circular dichroism (CD) of oligopeptide α-helices is essentially different from the CD of the peptide polymers in the same conformation. The comparison between results obtained by the CNDO/OPTIC method and by the MIG leads to doubts about the reliability of the use of the MIG to calculate rotatory strengths of nπ* transitions of oligopeptides in α-helix conformation.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560340508
