Title :
Application of computer programms in investigation of spatial structure of biomolecules
Author :
Akverdieva, G.A.
Author_Institution :
Inst. for Phys. Problems, Baku State Univ., Baku, Azerbaijan
Abstract :
The possibilities of the theoretical study of the spatial structure of biomolecules using a computer technology advances are demonstrated on the example of the peptide T that can be therapeutically effective at patients with AIDS. The calculations of the conformational profiles of this molecule were carried out by the theoretical conformational analysis method. With using of a semiempirical quantum mechanical method the basic electronic characteristics of a peptide are established. The conducted research has allowed to explain distinctions of two conformations corresponding to a spatial organization of this molecule, and also to predict the realization any of them.
Keywords :
diseases; medical computing; molecular biophysics; molecular configurations; programming; proteins; quantum theory; AIDS; biomolecule conformational profiles; biomolecule spatial organization; biomolecule spatial structure; computer programming; computer technology; peptide electronic characteristics; semiempirical quantum mechanical method; theoretical conformational analysis method; Computers; Hydrogen; Molecular biophysics; Peptides; Physiology; Quantum mechanics; Spirals; Key words peptide; conformation; electronic structure; spatial structure;
Conference_Titel :
Application of Information and Communication Technologies (AICT), 2013 7th International Conference on
Conference_Location :
Baku
Print_ISBN :
978-1-4673-6419-5
DOI :
10.1109/ICAICT.2013.6722631
