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We have been developing and applying multi-scale molecular modeling methods, as well as methods of bioinformatics and biomedical informatics. In particular, we have been dealing with:

  • study of structure, dynamics and signaling of GPCRs,
  • prediction of protein structure and study of protein-protein interactions,
  • molecular modeling of biological membranes,
  • application of molecular docking in drug design and discovery,
  • application of multi-scale simulation methods for modeling of complex molecular systems,
  • analysis of spatial structure of biopolymers, applications of deep learning in structural biology,
  • application of machine learning approach in the mathematical or statistical modeling and analysis of physiological systems in the clinic and other types of biomedical problems, including selected aspects based on VR solutions,
  • biomedical imaging, as well as development and applications of virtual reality technologies, including posturography.

Grants:

  • 2012-2017: 2011/03/D/NZ2/02004 “Analysis of similarity of biopolymer structures using descriptors of local structureā€¯,
  • 2014-2016: IP2012016372 “Study of signaling of  GPCRs using multi-scale molecular dynamics simulations”,
  • 2012-2016: 2011/01/D/NZ2/05314 “Development of a method for the structure prediction of GPCRs complexes with agonists and antagonists, including the ligand-induced alternations of the receptor structure”.