Publication: A Molecular Mechanics Conformational Study of Peptide T
Program
Authors
Advisor
Date
Language
Type
Publisher:
Journal Title
Journal ISSN
Volume Title
Abstract
Conformational behaviour of peptide T, a competitor of the human immuno-deficiency virus in the binding to human T cells, was investigated by theoretical conformational analysis. Two types of conformations are found to be the most stable: quasi cyclic conformation, which is favourable for intensive electrostatic interaction between the charged terminal groups, and spiral conformation, which provides optimal nonvalent interaction of atoms of the polypeptide skeleton. A β-turn of the polypeptide chain was revealed on the section Thr4-Tyr7.