• Interactive Exploration of Ligand Transportation through Protein Tunnels 

      Furmanova, Katarina; Jaresova, Miroslava; Byska, Jan; Jurcik, Adam; Parulek, Julius; Hauser, Helwig; Kozlikova, Barbora (Peer reviewed; Journal article, 2017-02-15)
      Background: Protein structures and their interaction with ligands have been in the focus of biochemistry and structural biology research for decades. The transportation of ligand into the protein active site is often complex ...
    • Visual Analysis of Ligand Trajectories in Molecular Dynamics 

      Jurcik, Adam; Furmanova, Katarina; Byska, Jan; Vonasek, Vojtech; Vavra, Ondrej; Ulbrich, Pavol; Hauser, Helwig; Kozlikova, Barbora (Journal article; Peer reviewed, 2019)
      In many cases, protein reactions with other small molecules (ligands) occur in a deeply buried active site. When studying these types of reactions, it is crucial for biochemists to examine trajectories of ligand motion. ...