TitleThe calculation of grids of molecules interaction using graphics processors
OrganizationSiberian Federal University
AbstractTheoretical 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.
KeywordsGPGPU, CUDA, molecular docking, virtual screening, ligand-protein docking
For citing this articleFarkov 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.
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