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.

Participating organisations

Netherlands eScience Center
Radboud University Nijmegen
Vrije Universiteit Amsterdam
Life Sciences
Life Sciences

Impact

Output

Team

CdG
Chris de Graaf
Principal investigator
Vrije Universiteit Amsterdam
AK
Albert J. Kooistra
Research Software Engineer
Vrije Universiteit Amsterdam
Lars Ridder
Lars Ridder
eScience Coordinator
Netherlands eScience Center
MV
Márton Vass
PhD student
Vrije Universiteit Amsterdam
RM
Ross McGuire
Research Software Engineer
Radboud University Medical Center
Stefan Verhoeven
Senior eScience Research Engineer
Netherlands eScience Center

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