2 papers
physics.chem-ph2026
Thermodynamics-Informed Accurate pKa Prediction and Protonation State Generation in PlayMolecule AI
Francesco Pesce, Stephen Farr, Gianni de Fabritiis
Accurate prediction of acid dissociation constants (p) and the determination of dominant protonation states is critical in drug discovery, influencing molecular properti…
q-bio.BM2025
Computational design of intrinsically disordered proteins
Giulio Tesei, Francesco Pesce, Kresten Lindorff-Larsen
Protein design has the potential to revolutionize biotechnology and medicine. While most efforts have focused on proteins with well-defined structures, increased recognition of the…