Molecular interactions dictate life. They are responsible for the structure (e.g. folding to the native state of a protein) and dynamics of macromolecules — and those in turn dictate the molecules’ functionality. Most macromolecules satisfy this functionality though interactions with other molecules — we use computer models to understand and predict how molecules recognize each other. Ultimately, we would like to use this knowledge to understand the underlying causes of disease and to design new functional molecules and drugs.

We contribute to the field by developing computational tools grounded on physico-chemical principles and apply them to understand proteins, peptides, nucleic acids and their interactions. Through the use of modeling and simulation tools, combined with experimental data we provide insights into the structures and mechanisms of action of biomolecules

Mission statement

We are here to learn and grow personally at the same time that we expand the boundaries of scientific knowledge.

We strive to produce high impact robust, reproducible science. The aim is that everyone that joins the group learns to: formulate hypothesis-driven research, carry it out, analyze the data and present it in papers, and conferences, lab and department meetings.

We are committed to maintain a supportive, helpful and respectful work environment inclusive of all, and respectful of work-life balance. We welcome new members who are aligned with fostering a healthy and supportive group dynamics and safe environment for all, regardless or race, faith, gender, sexual orientation, identity, culture or disabilities.

What we do

Where we work

Thanks to:

Join us in April 2023 at the CECAM-CSF Conference we are co-organizing: Multiscale Simulations of DNA from electrons to Nuclesomes