The Molecular Modeling Lab started in June 2005 and it is a Computational (Bio)chemistry research laboratory integrated in the Madeira Chemistry Research Centre (CQM). We have our facilities within the University of Madeira, located in Funchal (Madeira island, Portugal).

Here, we do our research on molecular recognition events using theoretical and computational approaches (docking, molecular mechanics, QSAR, etc.) to design compounds and study their chemical and biological properties.

We are especially interested in developing methodologies to incorporate chemical features in drug compounds, at the early stages of their development, which would allow them to have a desired specificity against a panel of molecular targets and thus address issues like drug resistance and toxicity.