Publications by authors named "Anna Fava"

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ProfhEX: Empowering Early Drug Discovery with Machine Learning-Based Target Profiling and Liability Prediction.
Filippo Lunghini, Carmen Cerchia, Anna Fava, Vincenzo Pisapia, Francesco Sacco

J Chem Inf Model· December 2025

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GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators.
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Gianluca Palermo, Anna Fava

Sci Rep· October 2025

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"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava

J Cheminform· February 2024

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MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions.
Giulio Vistoli, Candida Manelfi, Carmine Talarico, Anna Fava, Arieh Warshel

Expert Opin Drug Discov· July 2023

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ProfhEX: AI-based platform for small molecules liability profiling.
Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis

J Cheminform· June 2023

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The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2.
Isabella Romeo, Ingrid Guarnetti Prandi, Emanuela Giombini, Cesare Ernesto Maria Gruber, Daniele Pietrucci, Anna Fava

Int J Mol Sci· October 2022

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"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.
Candida Manelfi, Marica Gemei, Carmine Talarico, Carmen Cerchia, Anna Fava

J Cheminform· July 2021

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