Geometric deep learning for the prediction of magnesium-binding sites in RNA structures.

Magnesium ions (Mg) are essential for the folding, functional expression, and structural stability of RNA molecules. However, predicting Mg-binding sites in RNA molecules based solely on RNA structures is still challenging. The molecular surface, characterized by a continuous shape with geometric and chemical properties, is important for RNA modelling and carries essential information for understanding the interactions between RNAs and Mg ions.