Effect of External Electric Field Upon Selected Model Dipeptides

Abstract

Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.