Modelling and dynamics of molecular complexes

Proteinformatics Laboratory

Proteinformatics Laboratory

The Proteinformatics Laboratory develops and uses computer based methods of analyzing, visualising and predicting molecular processes with high temporal and spatial resolution.

It covers the following research fields:

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Analyis, Visualisation and Prediction of Molecular Complexes

  • Fragment based modelling of proteins and protein complexes using Cryo-Electron Microscopy (EM) data as constraints
  • Knowledge based prediction of the secondary and tertiary structure interactions of helical membrane proteins
  • Development of web applications for the analysis, prediction and visualisation of proteins and protein complexes

Structural Dynamics of G-Protein Coupled Receptors (GPCRs)

  • Mechanism, specificity and dynamics of receptor based signal transmission to G-proteins and arrestines by means of various molecular dynamic methods
  • Development of web applications for analysis and visualisation of simulation trajectories, for example of receptor activation and G-protein or arrestine binding.

Alzheimer Disease

  • Influence of structural dynamics and oligomerisation of ϒ-secretase substrates (APP, APLP) on their being processed to cell toxic species
  • Structural modelling of the modulation of the ϒ-sekretase section of APP by non-peptide active substances
  • Structural modelling of the modulation of fibril formation by peptide and non-peptide active substances

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last modified: 09.10.2019