The Molecular Modeling and Simulation (MMS) Lab is composed of several groups pushing the boundaries of several reaserch topics.

Computational BiopHysics Lab - lead by Miguel Machuqueiro focuses on studying the pH effects on biologically relevant molecules.

Computational Chemistry & Molecular Interactions Lab - lead by Paulo J. Costa focuses on better understanding (bio)molecular recognition phenomena mediated by non-covalent interactions.

Structure-Based Molecular Modeling Lab - lead by Bruno L. Victor focuses on studying and identifying regulatory structural determinants in biomolecules, that can be used in the development of new terapeutic agents.

Nuno Galamba Lab - lead by Nuno Galamba focuses on studying the hydrophobic effect’s role in (bio)chemical processes like protein foldeing and aggregation.

Electronic Structure Studies in Chemistry and Materials group - lead by Nuno A. G. Bandeira focuses on aplying electronic structure methods to understand chemical transformations at the molecular level.

These groups share a computational workspace located at C8 Building (room 8.5.52), Faculty of Ciences of University of Lisbon, Campo Grande, 1749-016 Lisbon, Portugal