Now showing items 1-2 of 2

    • Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization 

      Byška, Jan; Trautner, Thomas; Marques, Sérgio M.; Damborský, Jiří; Kozlíková, Barbora; Waldner, Manuela (The Eurographics Association and John Wiley & Sons Ltd., 2019)
      Analyzing molecular dynamics (MD) simulations is a key aspect to understand protein dynamics and function. With increasing computational power, it is now possible to generate very long and complex simulations, which are ...
    • DockVis: Visual Analysis of Molecular Docking Trajectories 

      Furmanová, Katarína; Vávra, Ondřej; Kozlíková, Barbora; Damborský, Jiří; Vonásek, Vojtěch; Bednář, David; Byška, Jan (© 2020 Eurographics ‐ The European Association for Computer Graphics and John Wiley & Sons Ltd, 2020)
      Computation of trajectories for ligand binding and unbinding via protein tunnels and channels is important for predicting possible protein–ligand interactions. These highly complex processes can be simulated by several ...