Suemin Lee

RNAnneal predicts RNA structural ensembles using deep learning and physics-based modeling, outperforming existing methods in classifying experimentally resolved conformations.

This study evaluates the quality of machine learned reaction coordinates using the gamma metric and shows an inverse correlation with accelerated times.

This paper introduces a method to calculate protein-ligand residence times across wide timescales using deep learning and enhanced sampling.

This study uses AI and enhanced sampling to accelerate protein unfolding simulations by learning high-dimensional reaction coordinates from poor data.