Research interests

My main research interests are:

  • Investigating protein-protein interactions in the blood coagulation cascade (e.g., von Willebrand Factor, Fibrin, Integrin) using atomistic molecular dynamics simulations and Monte Carlo sampling methods.

  • Applying various accelerated sampling methods to study conformational changes in proteins due to allosteric regulation or ligand binding.

  • Investigating interactions between proteins and material surfaces using Monte Carlo and molecular dynamics simulations in implicit or explicit solvent.

  • The development of tools to help the interpretation of surface analysis experiments.

  • Investigating at atomic level of detail the effects of oxidation in blood coagulation factors.

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