This project will develop technologies to improve the integration of ligand and protein data for structure-based prediction of protein-ligand selectivity and polypharmacology.

The project will use KNIME Analytics Platform to integrate the different technologies and datasets.

To install 3D-e-Chem KNIME nodes use https://3d-e-chem.github.io/knime-node-collection as update site.

3D-e-Chem partners and collaborators:

Latest news

read more

Repositories

 Publications

Data sets

Dissemination

Tutorials

Posters

Links