Research

Design and synthesis of artificial proteins

Our goal is the delivery of proteins and oligopeptides with improved properties. To do this, we use a compendium of computational techniques to first, identify the optimal positions in the protein sequence to be mutated, and second, test a reduced number of candidates to validate our hypothesis.

Running project: Computer-aided (re)design of enzymes

Running project: (Re)design of ADAMTS13

Running project: Computer-aided engineering on serum human albumin (HSA)

Modeling of photoactive probes in biological environments

Light absorption and emission are processes that depend, amongst many factors, on the environment where the chromophore is placed. We are committed to investigate the chemical features that govern the photophysics of small chemical probes under biological environments using computational methods.

Computer-aided drug discovery

Our third research line is the study of the interaction drug – biological target by means of docking, molecular dynamics simulations and free energy calculations.

Running project: Identification of positive allosteric modulators of lysosomal alpha-mannosidase (LAMAN)