Research Interests
- Studying biomolecules by means of molecular modelling, structure determination and bioinformatics.
- Developing program packages for computer aided drug design (CADD) and conducting CADD for the design of compounds and novel therapeutic agents.
- Application of quantum mechanics and molecular mechanics for the simulation and study of structure, stability and reactivity of chemical species in the gas phase and in solution.
- Modelling organometallic catalysts for polymerization reactions.
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