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Protein-protein docking using geometrical arguments
Cabeza de Vaca López, Israel
Universitat Politècnica de Catalunya. Departament de Física Aplicada; Pagonabarraga Mora, Ignacio; Guallar Tasies, Victor
This project aims to develop nobels algorithms to model protein-protein complexes, a very important aspect in biophysics. The algorithm presented based only on geometrical arguments, is intended to be a first and fast approach to get the most probable configurations. The algorithm finds the best positions producing only a small number of solutions (over 250 solutions). The method is based on 2D FFT (fast fourier transform) and orthographic projections of the proteins. The method allows us to find solutions around 15 Ǻ of Cα root mean square deviation for proteins with low electrostatic interactions.
Àrees temàtiques de la UPC::Informàtica::Informàtica teòrica::Algorísmica i teoria de la complexitat
Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica::Aplicacions informàtiques a la física i l‘enginyeria
Proteins -- Metabolism
Computer algorithms
Protein-protein docking
Orthographic projection coefficient
Protein recognition,
Geometrical predictive docking
Proteïnes -- Metabolisme
Algorismes computacionals
Attribution-NonCommercial-NoDerivs 3.0 Spain
Universitat Politècnica de Catalunya

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