INVESTIGADORES
MARTIN Osvaldo Antonio
congresos y reuniones científicas
Título:
Development of a computer application for the construction, visualization and analysis of glycan molecules
Autor/es:
ARROYUELO, AGUSTINA.; VILA, JORGE A.; MARTÍN OSVALDO A.
Reunión:
Congreso; VI Argentinian conference on Bioinformatics and Computational Biology.; 2015
Resumen:
There is an existing trend towards modeling complex molecular systems yet most of the molecular packages are protein-centered. Bioinformatics tools oriented to glycobiology are rare or disperse. This fact is not consistent with the evidence showing that glycoconjugates are involved in most disease processes and that glycosylation is the most abundant post-translational modification. Hence, our objetive is to facilitate the visualization and modeling of different types of biomolecules by extending the capacities of the popular PyMol package. In this work we present our first steps toward this goal by providing a set of glycan managing and analysis tools that will enable the user the creation and visualization of glycan molecules, as well as, the calculation of structural-based properties such as the radius of gyration and a solvation free-energy assessment by using a solvent-accessible surface area mod