WELCOME TO THE OH LAB!

Our group uses computational chemistry, artificial intelligence, and mathematical modelling to study how biomolecules behave and interact at the atomic scale. We develop machine learning-based models and protocols that bridge molecular simulations and experimental science, with practical applications in drug design, biophysics, health sciences, and others. 

Our current areas of interest include (1) hypoxia-inducible factor prolyl 4-hydroxylase inhibitors, (2) cellular and plasma retinol-binding proteins, (3) cyclic peptides, and (4) data-driven collective variable discovery.