Molecular Orbital Studies of Collagen and Tri-Alanine Peptides

Title: Molecular Orbital Studies of Collagen and Tri-Alanine Peptides
Identifier: d_2009_2013:b9a446b71839:11387
identifier: 11620
Creator: Tsai, I-Hsien Midas,
Contributor: Joseph J. Dannenberg
Date: 2012
Language: English
Publisher: City University of New York.
Subject: Biochemistry | collagen | tri peptide | triple helix
Abstract: The purpose of this thesis is to study the stability of the triple helix (collagen) like peptide structure using computational methods. I am focusing on the collagen stability by using molecular orbital (MO) methods to compare the energies of interaction of Collagen and Tri-Alanine peptides using density functional theory at the B3LYP/D95(d,p) level on the gas phase, aqueous solvation and solvated energies. I present the overall interaction energies as broken down into pure H-bonding between the strands at the geometries they assume in the triple helix.
Type: dissertation
Source: 2009_2013.csv
degree: Ph.D.
Program: Chemistry