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Journal of Chemical Information and Modeling|June 19, 2024
HessFit: A Toolkit to Derive Automated Force Fields from Quantum Mechanical InformationEmanuele Falbo, Antonio Lavecchia
ACS Omega|April 14, 2025
From Apo to Ligand-Bound: Unraveling PPARγ-LBD Conformational Shifts via Advanced Molecular DynamicsEmanuele Falbo, Pietro Delre, Antonio Lavecchia
Drug Discovery Today|August 5, 2019
Deep learning in drug discovery: opportunities, challenges and future prospectsAntonio Lavecchia
Drug Discovery Today|June 26, 2024
Advancing drug discovery with deep attention neural networksAntonio Lavecchia
Cell Host & Microbe|October 9, 2025
Deep learning helps fight against antibiotic resistanceAntonio Lavecchia
Drug Discovery Today|December 3, 2014
Machine-learning approaches in drug discovery: methods and applicationsAntonio Lavecchia
Drug Discovery Today|April 23, 2026
Physics-inspired explainable AI for mechanistic and decision support in drug discoveryAntonio Lavecchia
Drug Discovery Today|August 5, 2024
Navigating the frontier of drug-like chemical space with cutting-edge generative AI modelsAntonio Lavecchia
Biomolecules|January 21, 2023
In Silico Drug Design and Discovery: Big Data for Small Molecule DesignCarmen Cerchia, Antonio Lavecchia
Biomolecules|May 4, 2026
In Silico Drug Design and Discovery: Big Data for Small Molecule Design-2nd EditionCarmen Cerchia, Antonio Lavecchia
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