I am a Team Leader (Habilitation) researcher with a focus on biomolecular simulations and artificial intelligence, particularly in the context of addressing biological problems in drug design and molecular recognition in challenging targets. My background ranges from a B. Sc. in Organic Synthesis (UNAM), a M. Sc. in Cheminformatics (UNAM). and a Ph. D. in Simulation Sciences in a Marie Curie Innovative Training Network (RWTH Aachen, HU Israel and Cyprus Institute).