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Our group deals with various tasks of computer-aided molecular design. The group works in closest cooperation with Chemistry of Protein Kinase Inhibitors Group and provides molecular modeling support in team-work research.

OUR EXPERTISE:

  • Design of protein kinase inhibitors
  • In silico protein design
  • Developing of molecular modeling algorithms and software
  • Studying of protein dynamics and its accounting in docking

RESEARCH PROJECTS:

Design of Protein Kinase inhibitors more...

Implementation of orbital graph model for partial atom charges definition      in virtual screening technique more...

Studies of protein movements and their accounting in docking more...

TOPBUILDER more...

 

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