Computer study of spatial and electronic structure of the C-terminal pentapeptides of hemokinin-1 molecules

Author

Agaeva, G.A. ; Agaeva, U.T. ; Godjaev, N.M.

Author_Institution

Inst. for Phys. Problems, Baku State Univ., Baku, Azerbaijan

fYear

2013

fDate

23-25 Oct. 2013

Firstpage

1

Lastpage

4

Abstract

The comparative conformational analysis of C-terminal pentapeptides of human and rat/mouse hemokinin-1 peptide molecules have been carried out by computer modeling methods. Is showed that these molecules have similar low-energy conformational states with different electronic structure. The energy and geometrical parameters for each of low-energy conformations are obtained. The important stable inter-residue interactions in optimal conformational states of these molecules were revealed.

Keywords

biochemistry; biology computing; intermolecular mechanics; molecular biophysics; molecular configurations; molecular electronic states; C-terminal pentapeptides; comparative conformational analysis; computer modeling methods; electronic structure; energy parameters; geometrical parameters; hemokinin-1 molecules; human hemokinin-1 peptide molecules; low-energy conformational states; mouse hemokinin-1 peptide molecules; rat hemokinin-1 peptide molecules; spatial structure; stable inter-residue interactions; Bonding; Chemicals; Computers; Electrostatics; Hydrogen; Mice; Peptides; conformation; electronic structure; human hemokinin-1; pentapeptide; rat/mouse hemokinin-1;

fLanguage

English

Publisher

ieee

Conference_Titel

Application of Information and Communication Technologies (AICT), 2013 7th International Conference on

Conference_Location

Baku

Print_ISBN

978-1-4673-6419-5

Type

conf

DOI

10.1109/ICAICT.2013.6722694

Filename

6722694