Title :
The spatial structure and electron properties of the Gly-Glu-His-Phe-Pro-Gly-Pro molecule
Author :
Ismailova, T.I. ; Abbasli, R.M. ; Ismailova, L.I.
Author_Institution :
Inst. for Phys. Problems, Baku State Univ., Baku, Azerbaijan
Abstract :
The spatial and electron structure of the heptapeptide molecule Gly-Glu-His-Phe-Pro-Gly-Pro were investigated using semiempirical methods. By theoretical conformational analysis method has been investigated the low-energy conformations, geometric and energetic parameters of this molecule. By quantum-chemical method of CNDO/2 has been determined sharing electronic density and value of dipole moments of this molecule.
Keywords :
NDO calculations; electric moments; molecular biophysics; molecular configurations; molecular electronic states; molecular moments; quantum chemistry; CNDO/2 method; Gly-Glu-His-Phe-Pro-Gly-Pro biomolecule; conformational analysis; dipole moment; energetic parameters; geometric parameters; heptapeptide biomolecule electron properties; heptapeptide biomolecule spatial structure; low energy conformations; quantum chemical method; semiempirical methods; sharing electronic density; Electrons; Lesions; Mercury (metals); Peptides; Physiology; conformation; electron structure; molecule; peptide;
Conference_Titel :
Application of Information and Communication Technologies, 2009. AICT 2009. International Conference on
Conference_Location :
Baku
Print_ISBN :
978-1-4244-4739-8
Electronic_ISBN :
978-1-4244-4740-4
DOI :
10.1109/ICAICT.2009.5372586
