Research

Eventually, I intend to summarize my projects here for the sake of pedagogy and science communication. In the meantime, here are some Selected Publications —— AlphaFold2-RAVE: From Sequence to Boltzmann Ranking

Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention

Computing transition path theory quantities with trajectory stratification

Insulin dissociates by diverse mechanisms of coupled unfolding and unbinding

Molecular dynamics simulations of nucleotide release from the circadian clock protein KaiC reveal atomic-resolution functional insights

Long-time-scale predictions from short-trajectory data: A benchmark analysis of the trp-cage miniprotein