Essays about: "Gabin Schieffer"

Found 1 essay containing the words Gabin Schieffer.

  1. 1. Accelerating a Molecular Docking Application by Leveraging Modern Heterogeneous Computing Systems

    University essay from KTH/Skolan för elektroteknik och datavetenskap (EECS)

    Author : Gabin Schieffer; [2023]
    Keywords : Molecular docking; AutoDock; GPU; Tensor Core; Drug Discovery; Molekylär dockning; AutoDock; GPU; Tensor Core; Läkemedelsutveckling;

    Abstract : In drug development, molecular docking methods aim at characterizing the binding of a drug-like molecule to a protein. In a typical drug development process, a docking task is repeated millions of time, which makes optimization efforts essential. READ MORE