Research
Theoretical organic chemistry, biochemistry and biophysics. Emphasis is given to the study of mechanisms and processes involving enzymes and small molecules (organic chemistry mechanisms and reactions), prediction of protein structure/folding, drug design (antibiotics, antivirals, anti-tumor drugs), computational protein engineering. Research is based on molecular dynamics, homology modeling, water network analysis, molecular docking, quantum chemistry calculations, bioinformatics, data analysis, virtual high-throughput screening/docking against large databases (ligand databases in normal docking and receptor databases in inverse docking), pharmacophores, hit-to-lead optimization (computational plus experimental information) and organic synthesis (mainly bio- and organocatalysis, and asymmetric synthesis).
Teaching
Organic Chemistry A (KEGA02)
Organic Chemistry B (KEGB01)
Chemistry in Society (KEGB20)
Introductory Chemistry (KEGA21)
Matter (CBGAM1)
Collaboration
- Jan van Stam (Karlstads Universitet, Sweden)
- Leif A. Eriksson (University of Gothenburg, Sweden)
- Carolina Fontana (UdelaR, Uruguay)
- Cecilia Porciúncula (UdelaR, Uruguay)