Xi Wang

Fused framework for predicting binding affinity to ɑ-synuclein using three-dimensional molecular graphs and attention.

The aberrant aggregation of α‑synuclein (α‑syn) is a pathological hallmark of synucleinopathies, driving the need for small‑molecule inhibitors that block its oligomerization and fibrillization. In computer‑aided drug discovery, accurate affinity prediction remains critical for early‑stage screening. However, current d...