Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest

Downloads

Covalent reactive groups DB
A compilation of GSH reactivity data measured for more than 250 covalent fragments is available for download here.

If you apply the data in your research, please cite the respective papers, indicated in the Source column of the table.


KiDS (Kinase desirability score) KNIME worklow
The KNIME workflow published in our recent article for the calculation of the proposed Kinase Desirability Score is available for download here.

If you apply KiDS in your research, please cite the primary article:
D Bajusz, GG Ferenczy, GM Keserű, Property-based characterization of kinase-like ligand space for library design and virtual screening, MedChemComm, 2015, 6, 1898-1904.