3D-e-Chem

Efficient exploitation of the massive amount of modern-day life science data
Image: Anthony Kelly

Many new protein targets have been discovered recently and it has been shown that clinical efficacy is often the result of polypharmacological action of drug molecules (the interaction with more than one protein target). But exploitation of this insight is hampered because we can not efficiently integrate large volumes of heterogeneous data from different disciplines. The data needs to be properly integrated in order to extract useful information that is manageable and applicable in various life science disciplines. This project will develop technologies to improve the integration of ligand and protein data for structure-based prediction of protein-ligand selectivity and polypharmacology.

Output

Team

  • Chris de Graaf
    Vrije Universiteit Amsterdam
  • Lars Ridder
    Netherlands eScience Center
  • Stefan Verhoeven
    Netherlands eScience Center
  • Albert J. Kooistra
    Vrije Universiteit Amsterdam
  • Ross McGuire
    Radboud University Medical Center
  • Márton Vass
    Vrije Universiteit Amsterdam
Contact person
Stefan Verhoeven
Netherlands eScience Center