1. Multiscale modeling
    1. SURPASS model
    2. Rosetta
  2. Structural Bioinformatics
    1. BioShell package
    2. Template-based modeling

Multiscale Modeling

Main scientific interests of the group focuses on coarse-grained (CG) modeling of biomacromolecules and their complexes. For this purpose we've recently developed SURPASS model - a low resolution coarse-grained method for protein modeling. Structures calculated with SURPASS are further refined with Rosetta. The method is devised to model structure and dynamics of large protein structures and their assemblies.


Structural Bioinformatics

Development of coarse grained modelling methods requires large-scale statistical analyses of databases of known protein structures. These are performed by a BioShell package, specifically designed for this task.