Welcome to the Molecular recognition group!

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

Caminante, no hay camino,
se hace camino al andar.

Antonio Machado

Traveller, there is no road,
the road is made as you walk.

Antonio Machado

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.

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

Lab News

  • Elizabeth Sebastian will go to SBU for an REU experience!
  • Ben Andal will visit Princeton for an REU during the summer!
  • Ben Andal selected to the 2022-23 Beyond120 Chemistry Scholars Award
  • Liwei and Arup selected for an OpenEye summer internship (Mar 15th)
  • Ben Andal and Elizabeth Sebastian were selected to the CLAS Scholars Program (Mar 1st)
  • Lijun Lang to return for a summer internship at IBM (Feb 28th)
  • Presented our work at BPS in San Francisco and advertised the BPS Thematic Meeting we are organizing in Hamburg. (Feb 21)
  • The Sanibel Symposium we co-organize was a success! First meeting in person in a couple of years. Reza, Qianchen, Yisel and Bhumika presented posters. (Feb 16th)
  • Reza and Ben publish their work on DNA clamps

What we do

Where we work