2019 INSERM U1248 IPPRITT, Limoges (France)

• Modelling membrane transport of MRP1, MRP2 and MRP4 by  molecular dynamics and metadynamics simulations.
• Understanding of MRP1 transporter’s functioning and xenobiotic-transporter interactions at the atomic scale

Feb 2016 – Sep 2017/Feb 2018 – Jan 2019 MTA-SE Molecular Biophysics Research Group, Department of Biophysics and Radiation Biology, Semmelweis University, Budapest (Hungary) 

• Study of the ligand binding of proteins, which play a role in drug metabolism, with molecular dynamics and metadynamics simulations.

• Investigation of the substrate recognition and transport of the ABCG2 multidrug transporter using docking and simulations.

• Modelling of ABCG2.

Sep 2017 – Feb 2018 Computational Biology Laboratory at the Danish Cancer Society Research Center, Copenhagen (Denmark)

• Study of the BH3-domains of BH3-like proteins (ATG12, p14ARF and AMBRA1) with molecular dynamics and metadynamics simulations.
• Characterization of their behavior and their mutations.
• Investigation of different force fields and collective variables.

Feb 2015 – Jan 2016 MTA-SE Molecular Biophysics Research Group, Department of Biophysics and Radiation Biology, Semmelweis University, Budapest (Hungary)

• Planning, creating and analysing of a database of patients suffering from chronic myeloid leukaemia.