Author

Riccardo Capelli

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Open access Sep 2026

Assessing multi-eGO Predictions of PDZ2–Peptide Binding across Mutations

The results indicate that the simplified energy landscape of multi-eGO limits the quantitative prediction of absolute kinetics while preserving thermodynamic information relevant to relative binding affinity, establishing multi-eGO as a computationally efficient approach for protein–peptide recognition and for predicti...

Camilla Ardizzone, Bruno Stegani, Fran Bačić Toplek et al. · bioRxiv · 0 citations

Preprint Sep 2026

Derivation of the Sample-Size Scaling of TWO-NN Intrinsic-Dimension Estimates from Molecular Dynamics Trajectories

The intrinsic dimension of a dataset is the number of independent directions needed to describe the space occupied by its data. Estimators based on nearest neighbors infer this number from how the probability to find a neighbor point grows around each sampled point. Because the distances $r$ between neighbor points dec...

Riccardo Capelli · 0 citations