Research
Research interests
Membrane proteins:
Chemosensory G-protein coupled receptors (GPCRs) – bitter taste and olfactory receptors.
Oxytocin receptor – disease-linked mutations
Vesicular glutamate transporters (VGLUTs) – proton dependency and substrate recognition.
Voltage-gated calcium channels (Cavs) – membrane trafficking.
Pentameric ligand gated ion channels (pLGICs) – photomodulation.
Inward rectifier potassium (Kir) channels – lipid modulation.
Metalloproteins:
Isocitrate dehydrogenase (IDH) – cancer-associated mutations.
Endonucleases – allosteric regulation and ligand binding.
Hemeproteins – catalytic mechanism.
Computational tools:
Molecular dynamics simulations – ab initio, classical and hybrid QM/MM and MM/CG.
Enhanced sampling / Free energy techniques – metadynamics.
Molecular docking – protein-ligand and protein-protein.
Collaborations
Current collaborations
Chemosensory GPCRs:
Prof. Paolo Carloni, Forschungszentrum Jülich and RWTH Aachen University (Germany).
Prof. Alejandro Giorgetti, University of Verona (Italy).
Ernesto Illy Foundation, Trieste (Italy).
Prof. Riccardo Capelli, University of Milan LaStatale (Italy).
Coffee compounds:
Dr. Luciano Navarini, illy caffè, S.p.A. (Italy).
Prof. Paolo Carloni, Forschungszentrum Jülich and RWTH Aachen University (Germany).
Prof. Giulia Rossetti, Forschungszentrum Jülich and RWTH Aachen University (Germany).
Ernesto Illy Foundation, Trieste (Italy).
Italian Liver Foundation, Trieste (Italy).
Oxytocin receptor:
Prof. Paolo Carloni, Forschungszentrum Jülich and RWTH Aachen University (Germany).
Prof. Alejandro Giorgetti, University of Verona (Italy).
Prof. Francesco Musiani, University of Bologna (Italy).
Dr. Xiaojing Cong, Institut de Génomique Fonctionnelle (France).
Vesicular glutamate transporters:
Prof. Christoph Fahlke, Forschungszentrum Jülich and HHU Düsseldorf (Germany).
Prof. Paolo Carloni, Forschungszentrum Jülich and RWTH Aachen University (Germany).
Voltage-gated calcium channels:
Prof. Patricia Hidalgo, Forschungszentrum Jülich and HHU Düsseldorf (Germany).
Dr. Beatrix Santiago-Schuebel, Forschungszentrum Jülich (Germany).
pLGICs:
Prof. Pau Gorostiza, Institute for Bioengineering of Catalonia (Spain).
Prof. Piotr Bregestovski, Aix-Marseille Université (France).
Prof. Burkhard König, University of Regensburg (Germany).
Prof. Carme Rovira, University of Barcelona (Spain).
Past collaborations
Neuropeptide Y receptor:
Prof. Jonel Trebicka, University of Münster (Germany) & European Foundation for the study of chronic liver failure .
Potassium inward rectifier channels:
Prof. Giacomo Fiorin, Institute for Computational Molecular Science - Temple University (USA) (now at NIH)
Prof. Chris MacDermaid, Institute for Computational Molecular Science - Temple University (USA) (now at Agenus).
Prof. Lucie Delemotte, SciLife Lab - KTH Royal Institute of Technology (Sweden).
Prof. Michael L. Klein, Institute for Computational Molecular Science - Temple University (USA).
Isocitrate dehydrogenase:
Prof. Ana M. Gamero, School of Medicine - Temple University (USA).
Endonucleases:
Prof. Allen W. Nicholson, Dept. of Biology and Chemistry - Temple University (USA).
Prof. Lieve Naesens, Rega Institute for Medical Research - KU Leuven (Belgium).
Hemeproteins:
Prof. Ignacio Fita, Structural Biology Unit - Molecular Biology Institute of Barcelona (IBMB - CSIC, Spain).
Prof. Peter C. Loewen, Dept. of Microbiology - University of Manitoba (Canada).