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Journal of Computer-Aided Molecular Design|October 20, 2019
Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategiesGabriele Macari, Daniele Toti, Fabio Polticelli
Database : the Journal of Biological Databases and Curation|June 28, 2022
FGDB: a comprehensive graph database of ligand fragments from the Protein Data BankDaniele Toti, Gabriele Macari, Enrico Barbierato, et al.
International Journal of Molecular Sciences|December 18, 2020
DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock VinaGabriele Macari, Daniele Toti, Andrea Pasquadibisceglie, et al.
Proteins|June 29, 2017
Multiple molecular dynamics simulations of human LOX-1 and Trp150Ala mutant reveal the structural determinants causing the full deactivation of the receptorFederico Iacovelli, Fabio Giovanni Tucci, Gabriele Macari, et al.
International Journal of Molecular Sciences|May 24, 2019
Fragment-Based Ligand-Protein Contact Statistics: Application to Docking SimulationsGabriele Macari, Daniele Toti, Carlo Del Moro, et al.
Molecules (Basel, Switzerland)|May 14, 2020
Computational Methods for the Identification of Molecular Targets of Toxic Food Additives. Butylated Hydroxytoluene as a Case StudyValentina Tortosa, Valentina Pietropaolo, Valentina Brandi, et al.
IUBMB Life|October 16, 2019
Neonicotinoid trapping by the FA1 site of human serum albuminLoris Leboffe, Alessandra di Masi, Viviana Trezza, et al.
Journal of Molecular Recognition : JMR|October 9, 2020
Binding of direct oral anticoagulants to the FA1 site of human serum albuminGiovanna De Simone, Andrea Pasquadibisceglie, Alessandra di Masi, et al.
Microorganisms|November 27, 2025
Genomic Surveillance and Resistance Profiling of Multidrug-Resistant Acinetobacter baumannii Clinical Isolates: Clonal Diversity and Virulence InsightsMaria Vittoria Ristori, Ilaria Pirona, Lucia De Florio, et al.
ACS Omega|February 5, 2024
Correction to "Targeting the Spike: Repurposing Mithramycin and Dihydroergotamine to Block SARS-CoV-2 Infection"Soledad Stagnoli, Gabriele Macari, Pietro Corsi, et al.
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