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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