Justin MacCallum

Dr. Justin MacCallum

Pronouns: he/him


CIHR CRC II in Biomolecular Structure and Design

Faculty of Science , Department of Chemistry

Associate Dean, Graduate and Post-Doctoral Scholars

Faculty of Science , Office of the Dean

Contact information

Web presence


Office: BI557

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Educational Background

BSc Biochemistry, University of Calgary, 2002

PhD Biomolecular Simulation, University of Calgary, 2008


Areas of Research


My lab studies protein structure and biomolecular recognition using a combination of computational modeling and biophysical experiments. We aim to understand basic driving forces and to use this knowledge for practical applications, including new approaches to structure determination and the design of new biomolecules. Our focus is on the development and application of powerful computational modeling tools, which we validate and improve through complementary experimental studies. Current efforts in the lab focus on three main directions: (1) alternative approaches to structure determination, (2) design of protein-protein and protein-peptide interactions using physical modeling and free energy simulations, and (3) the development of scientific machine learning approaches that combine machine learning with physical principles.