Hassan Nadeem

This study maps the sequence preferences of the generalist class II lanthipeptide synthetase ProcM using mRNA display and machine learning, revealing moderate predictive accuracy compared to specialized enzymes.

This study examines peptide-brush polymers mimicking protein structure, finding that polymer backbones disrupt secondary structures and alter free-energy landscapes.

Pi-Ensemble generates protein conformational ensembles between two structural states using sequence-guided interpolation, producing physically plausible intermediates without additional training.

AdaptivePy provides a unified framework for adaptive sampling in MD simulations, implementing nine seed-selection policies and enabling meta adaptive sampling schemes.