Computational studies of nucleic acids and their complexes with ligands and proteins, including atomistic classical simulations, advanced quantum-chemical calculations, bioinformatics and hybrid QM/MM methods. Structural molecular biology and biophysics. Physical chemistry of molecular interactions. Current main research topics: 1) RNA structural dynamics, folding and catalysis. 2) Protein-RNA complexes. 3) DNA, with focus on G-quadruplexes. 4) Diverse types of quantum-chemical studies on nucleic acids systems. 5) Origin of life (prebiotic chemistry). 6) Development of DNA and RNA simulation force fields.
Supervisor of ESR5