Title :
Conformational and dynamical properties of the CREKA molecule
Author :
Alieva, I.N. ; Abbasova, G.D. ; Gojayev, N.M.
Author_Institution :
Baku State Univ., Baku, Azerbaijan
Abstract :
The spatial and electron structure of the CREKA molecule, the new drug with anti tumor activity was investigated by the theoretical conformational analysis, quantum chemistry and molecular dynamics methods on the base of the computational programs.
Keywords :
drugs; molecular configurations; molecular dynamics method; molecular electronic states; quantum chemistry; tumours; CREKA molecule; antitumor activity; computational proqrams; conformational properties; drug; dynamical properties; electron structure; molecular dynamics methods; quantum chemistry; spatial structure; theoretical conformational analysis; Chemistry; Drugs; Electrons; Hypercubes; Neoplasms; Quantum computing; Quantum mechanics;
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.2009.5372512
