Welcome to Wim Dehaen’s page. I am currently employed as a postdoctoral researcher at the University of Chemisty and Technology Prague. I am a part of Prof. Andrea Brancale’s Medicinal chemistry group at the Department of Organic Chemistry, where I collaborate with experimentalists, mainly using applied computer-aided drug design and virtual screening techniques, such as molecular docking. This position is supported by the Ministry of Education, Youth and Sports of the Czech Republic via the project “New Technologies for Translational Research in Pharmaceutical Sciences/NETPHARM”, project ID CZ.02.01.01/00/22_008/0004607, cofunded by the European Union.

Beyond my main affiliation, I am also connected to the Department of Informatics and Chemistry where I work on cheminformatics research.

Beware, there are two more Wims you may be confusing me with. The first one is Wim A. Dehaen. He is also active in the chemistry field and you can find his site here. He is my father. Another similarly named person is Wim Dehaene. He is a professor active in the field of electic engineering. No family relation with this one.

I have several interests, here are a few of them:

  • Cheminformatics:
    • New molecular representations
    • Similarity and difference between molecules
    • Computer-aided synthesis planning
    • Chemical complexity
    • Artificial chemistry
    • Chemical graph theory
  • Virtual screening:
    • Pharmacophore models
    • Protein-ligand pose prediction and ranking
    • QSAR models
  • Medicinal chemistry:
    • De novo ligand design
    • Bioisosterism
    • Molecular optimization
    • ADME(T) models
  • Organic chemistry:
    • Retrosynthesis
    • Natural products total synthesis
    • Ultra-large chemical libraries
    • Reaction informatics
  • Digital Signal Processing (DSP)
    • Spectral transforms, particularly the wavelet transform
    • Chemical applications of the wavelet transform
    • Sonification of chemical signals (such as spectra)
    • Sonification of molecules
    • Electronic music and sound art generally

I am currently also open to supervising Bachelor and Master students (incl. Erasmus students). If you are interested in any of the topics mentioned above, feel free to get in touch via the e-mail listed here to talk about current possibilities.