Local structural preference maps encode transferable protein-interface energetics
Maximilian Kienlein, Filipe Menezes, Phillip Graß, Stefan Munker, Till Siebenmorgen, Grzegorz M. Popowicz
The paper trains a machine-learning model on native protein structures to predict interaction preferences and energetics without using affinity or mutation labels, achieving performance comparable to existing methods on a benchmark.
bioRxiv · Sep 24, 2026 · PreprintBioinformatics