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Drug Discovery Today|January 20, 2009
Molecular fields in drug discovery: getting old or reaching maturity?Simon Cross, Gabriele CrucianiJournal of Chemical Information and Modeling|February 4, 2022
FragExplorer: GRID-Based Fragment Growing and ReplacementSimon Cross, Gabriele CrucianiJournal of Chemical Information and Modeling|August 28, 2023
DeepGRID: Deep Learning Using GRID Descriptors for BBB PredictionLoriano Storchi, Gabriele Cruciani, Simon CrossJournal of Chemical Information and Modeling|September 14, 2012
GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidationSimon Cross, Massimo Baroni, Laura Goracci, et al.Journal of Chemical Information and Modeling|January 7, 2009
Tautomer enumeration and stability prediction for virtual screening on large chemical databasesFrancesca Milletti, Loriano Storchi, Gianluca Sforna, et al.Proteins|January 6, 2015
BioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivityLydia Siragusa, Simon Cross, Massimo Baroni, et al.Molecular Informatics|August 4, 2016
BioGPS: The Music for the Chemo- and Bioinformatics WalzerLydia Siragusa, Francesca Spyrakis, Laura Goracci, et al.Chemical Biology & Drug Design|July 20, 2022
ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACsTommaso Palomba, Massimo Baroni, Simon Cross, et al.Current Drug Targets|October 2, 2015
Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A PharmacophoreDonatella Tondi, Simon Cross, Alberto Venturelli, et al.Journal of Computational Chemistry|August 19, 2021
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applicationsSara Tortorella, Emanuele Carosati, Giulia Sorbi, et al.Pageof 19