Andrea Rosario Beccari

28PUBLICATIONS
178CO-AUTHORS
Metabolic medicineBiomolecular modelling and designHaematological tumoursComputational chemistryPharmaceutical delivery technologies
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Publications (28)

|Aug 22, 2026
MetabolEx: Platform for Small-Molecule Metabolites Generation and Metabolic Pathway Prediction.

|Jul 28, 2026
A Physically Informed QUBO Model for π‑Stacking Interactions in Molecular Docking Problems.

|Jun 30, 2026
Molecular Mechanisms of KIT Receptor Dimerization and Oncogenic Activation Revealed by Multiscale Simulations.

|May 13, 2026
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection.

|Dec 08, 2025
ProfhEX: Empowering Early Drug Discovery with Machine Learning-Based Target Profiling and Liability Prediction.

Filippo Lunghini, Carmen Cerchia, Anna Fava

|Nov 22, 2025
Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications.

Domenico Bonanni, Yuedong Zhang, Davide Gadioli

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Frequent Collaborators

15 joint publications

Carmine Talarico

7 joint publications

Giulio Vistoli

6 joint publications

Alessandro Pedretti

5 joint publications

Ingrid Guarnetti Prandi