43 citations · 181 across the 31 of their papers we have counts for
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q-bio.BM2026★ 3 cited
Inference-time optimization for experiment-grounded protein ensemble generation
Advaith Maddipatla, Anar Rzayev, Marco Pegoraro +5
Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data. Recent expe…
q-bio.BM2023
Geometric Epitope and Paratope Prediction
Marco Pegoraro, Clémentine Dominé, Emanuele Rodolà +2
Antibody-antigen interactions play a crucial role in identifying and neutralizing harmful foreign molecules. In this paper, we investigate the optimal representation for predicting…