Department of Computational Biophysics and Bioinformatics

Molecular Modelling High Performance Clusters ... for Molecular Dynamics Simulation ... and Bioinformatics ... Text Data Mining

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 phospho- and glycolipids 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
  • membrane active compounds

In addition to membranes studies, we also successfully applied molecular modelling to investigate the influence of spin labeling to structure and dynamics of cytochrome c and to study of dimerisation and polymerisation of alpha1-antitrypsin, a serum protein.

In the field of bioinformatics, we employ:

  • fold recognition methods and comparative modelling to predict the biological function of newly identified proteins,
  • biological text mining to handle non-trivial text queries to NCBI PubMed database

ModMol: FrontPage (last edited 2016-12-28 20:41:01 by JanuszMordarski)