I am interested in the combination of computational and experimental techniques in Drug Discovery processes. In particular, my PhD project involved different methodologies such as:
- Molecular Docking.
- High Throughput Virtual Screening.
- Experimental techniques:
- Surface Plasmon Resonance.
- Differential Scanning Fluorimetry.
- in vivo assays.
- Molecular Dynamics.
- Chemoinformatic tools.
My main project is focused in finding small-molecules capables of binding in Protein-Protein Interfaces and increase their affinity. Thus, as a proof of concept, we are working in a system formed by two E.Coli proteins, CheA and CheY. This system was selected applying cavity detection algorithms and druggability prediction methodologies developed in our group. I have also participated in collaborative projects with pharmaceutical companies, applying computational techniques in real R&D campaigns for drug discovery.