Sökning: "AutoDock"

Hittade 2 uppsatser innehållade ordet AutoDock.

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

   Master-uppsats, KTH/Skolan för elektroteknik och datavetenskap (EECS)

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

   Sammanfattning : 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. LÄS MER

3. 2. Characterisation of Potential Inhibitors of Calmodulin from Plasmodium falciparum

   Kandidat-uppsats, Linköpings universitet/Institutionen för fysik, kemi och biologi

   Författare :Alexandra Iversen; Ebba Nordén; Julia Bjers; Filippa Wickström; Martin Zhou; Mohamed Hassan; [2020]
   Nyckelord :Plasmodium falciparum; Calmodulin; Malaria; Trifluoperazine; Calmidazolium; Artemisinin; Fentanyl derivatives; Modelling; Docking; Bioinformatics;

   Sammanfattning : Each year countless lives are affected and about half a million people die from malaria, a disease caused by parasites originating from the Plasmodium family. The most virulent species of the parasite is Plasmodium falciparum (P. falciparum). LÄS MER