Scientific interests

  • Drug design
  • Modeling of structure and dynamics of membrane proteins
  • Action of molecular switches on activation pathway of GPCRs, agonist/antagonist sensors
  • Development of new methods for coarse-grain dynamics
  • Oligomerization processes of proteins and peptides
  • Interactions of proteins with graphene, carbon nanotubes and other electrode materials
  • Simulated mechanical unfolding of proteins

Major investigated proteins

  • G-protein-coupled receptors - GPCRs (rhodopsin, adrenergic / opioid / cannabinoid / chemokine / … receptors)
  • Bacteriorhodopsin, halorhodopsin
  • Membrane proteases including the γ-secretase complex (Alzheimer disease)
  • Glucose oxidase (for biosensors)
G protein-coupled receptor (GPCR) with a membrane, water, and ions, in a periodic box.
G protein-coupled receptor (GPCR) with a membrane, water, and ions, in a periodic box.


  • April 2019.
     
    Our latest review on "Molecular switches in GPCRs".
     
    GPCR
     

  • March 2019.
     
    The ERNEST project (COST CA18133) has started.
     
    ERNEST = European Research Network on Signal Transduction
     
    The main scientific objective of the Action is to develop a common, comprehensive and holistic map of signal transduction that will advance development of pathway-specific chemical modulators. This unique and innovative goal will be realised by linking of a diverse group of researchers in the field through the networking activities funded by COST.
     
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