Presented by:
Vilém Šustr
Barbora Kozlíková
Ondřej Strnad
Vilém Šustr
Ondřej Valina

  • Protein engineering: mutating a protein to reach desired biochemical properties.
  • Drug design: development of a compound interacting desirably with a specific group of proteins.
  • Need to manually perform hundreds of experiments to find suitable counterparts for desired chemical reaction. This is a very time-consuming and resource-demanding phase with uncertain results.
  • Need for software platform with prediction-based tools with great support and customization.

  • CAVER: software tool integrating protein analysis with visualization enabling interactive displaying and immediate interpretation of computed results.
  • State-of-the-art algorithms for analysis based on detection of empty space in protein macromolecules (tunnels, channels, cavities), prediction power amplified by ability to process molecular dynamics.
  • Saves weeks to months of manual work and lab time and finds combinations not achievable by other methods (screening).