Molecular Modelling Group

The main aim of our research is to elucidate the basic mechanisms of the biophysical aspects of the cell membrane functioning. The tool we use is molecular modelling at the atomic level. Our particular interests are:

• the organisation of the membrane/water interface and hydrocarbon chain region in membranes built of phospholipids with saturated and mono-unsaturated chains
• the influence of selected sterols, terpenoids and local anaestethics on the interface and the non-polarcore of the membrane
• antibacterial activity and selectivity of magainin-2 peptide
• signal transduction of vasopressin V2 receptor in the membrane
• lipid - peptide, lipid - protein interactions

In addition to membranes studies, we also apply molecular modelling to the study of dimerisation and polymerisation of alpha1-antitrypsin, a serum protein.