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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.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 PolticelliDatabase : 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.Journal of Computer-Aided Molecular Design|January 8, 2017
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock VinaElena Di Muzio, Daniele Toti, Fabio PolticelliJournal of Molecular Recognition : JMR|April 16, 2018
Fipronil recognition by the FA1 site of human serum albuminPaolo Ascenzi, Loris Leboffe, Daniele Toti, et al.Bioinformatics (Oxford, England)|November 11, 2017
LIBRA-WA: a web application for ligand binding site detection and protein function recognitionDaniele Toti, Le Viet Hung, Valentina Tortosa, et al.Bioinformatics (Oxford, England)|August 29, 2015
LIBRA: LIgand Binding site Recognition ApplicationLe Viet Hung, Silvia Caprari, Massimiliano Bizai, 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.Bioinformatics (Oxford, England)|November 19, 2013
ASSIST: a fast versatile local structural comparison toolSilvia Caprari, Daniele Toti, Le Viet Hung, et al.Pageof 17