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Center for Network Biology
of Infection and Immunity (CNBI2)


The research work of Dr. Cherkasov’s group is focused on computer-aided drug design, applications of artificial intelligence in structure-activity modeling for bioactive substances, development of large-scale bioinformatics and genomics tools and molecular modeling techniques.



The group members are currently involved in a number of chemi- and
bioinformatics projects that include:

  • computer-aided drug design;
  • applications of artificial intelligence in structureactivity modeling for bioactive substances;
  • development of large-scale bioinformatics and genomics tools and molecular modeling techniques;
  • successful in silico discovery of novel non-steroidal ligands for human sex hormone binding globulin (SHBG)
  • can ‘bacterial-metabolite-likeness’ model improve odds of ‘In silico’ antibiotic discovery