Proceedings of The International Conference "Mathematical Biology and Bioinformatics"

Development of mathematical methods and software for protein's functional sites detection

I. V. Shutova, V. P. Golubovich

Institute of Bioorganic Chemistry of the National Academy of Sciences of Belarus, Minsk

Abstract: The program for analysis of protein's surfaces with the purpose of functional site detection has been designed. The program allows building the molecular protein's surfaces, detecting the pockets, canals and cavities and carrying out the analysis of hydrophobic areas and charge distribution on the surfaces. Using this program one of functional sites of human G-CSF has been defined and its low-molecular functional analog has been forecasted.

Key words: protein's functional site, structural features of protein's surface, cavities, canals, pockets.

UDC: 577.112+577.322.23

Received 03.12.2010, Published 14.12.2010