• Multiscale Visual Drilldown for the Analysis of Large Ensembles of Multi-Body Protein Complexes 

      Furmanová, Katarína; Jurčík, Adam; Kozlíková, Barbora; Hauser, Helwig; Byska, Jan (Journal article; Peer reviewed, 2020)
      When studying multi-body protein complexes, biochemists use computational tools that can suggest hundreds or thousands of their possible spatial configurations. However, it is not feasible to experimentally verify more ...
    • sMolBoxes: Dataflow Model for Molecular Dynamics Exploration 

      Ulbrich, Pavol; Waldner, Manuela; Furmanová, Katarína; Marques, Sergio M.; Bednář, David; Kozlíková, Barbora; Byska, Jan (Journal article; Peer reviewed, 2023)
      We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a frame-by-frame observation is not feasible ...
    • Visualization of Biomolecular Structures: State of the Art Revisited 

      Kozlíková, Barbora; Krone, Michael; Falk, Martin; Lindow, Norbert; Baaden, Marc; Baum, Daniel S.; Viola, Ivan; Parulek, Julius; Hege, Hans-Christian (Peer reviewed; Journal article, 2016-11-18)
      Structural properties of molecules are of primary concern in many fields. This report provides a comprehensive overview on techniques that have been developed in the fields of molecular graphics and visualization with a ...