Tadas Kluonis

MHChron improves pMHC binding prediction by creating a diverse dataset and testing models under strict generalization conditions, achieving strong performance despite smaller training data.

The paper analyzes a crowdsourced protein design competition, showing participants designed EGFR binders with varying affinities and highlighting challenges in benchmarking and experimental design.

drMD is an automated pipeline for running molecular dynamics simulations, designed to reduce the expertise required and improve accessibility for non-experts.