The calculation of grids of molecules interaction using graphics processors
Siberian Federal University
Theoretical base of molecular ligands-proteins docking was described. Grids approach for molecular docking was described. Task's decomposition for parallel computation systems was presented. The relevance of using GPU for solving problem was proved.
GPGPU, CUDA, molecular docking, virtual screening, ligand-protein docking
For citing this article
Farkov M.A. The calculation of grids of molecules interaction using graphics processors // The Research of the Science City, 2013, no. 3-4, pp. 46-49.