Title :
Computer determination of preferred conformations of human hemokinin-1
Author :
Agaeva, U.T. ; Agaeva, G.A. ; Godjaev, N.M.
Author_Institution :
Inst. for Phys. Problems, Baku State Univ., Baku, Azerbaijan
Abstract :
The conformational properties of biologically active hemokinin-1 peptide molecule have been investigated by computer modeling methods. It is showed that this molecule can exist in several stable conformational states. The energy and geometrical parameters for each of low-energy conformations are obtained. The conformationally rigid and labile segments of this molecule were revealed.
Keywords :
biology computing; macromolecules; molecular biophysics; molecular configurations; organic compounds; physiological models; biologically active hemokinin-1 peptide molecule; computer determination; computer modeling methods; conformational properties; conformationally rigid segments; geometrical parameters; human hemokinin-1 conformations; low-energy conformations; stable conformational states; Biological information theory; Computers; Educational institutions; Electrostatics; Humans; Hydrogen; Peptides; conformation; function; hemokinin-1; peptide; structure;
Conference_Titel :
Application of Information and Communication Technologies (AICT), 2012 6th International Conference on
Conference_Location :
Tbilisi
Print_ISBN :
978-1-4673-1739-9
DOI :
10.1109/ICAICT.2012.6398521
