Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases. - Francesca Milletti; Loriano Storchi; Gianluca Sforna; Simon Cross 001; Gabriele Cruciani (J. Chem. Inf. Model., 2009)

FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set. - Simon Cross 001; Massimo Baroni; Emanuele Carosati; Paolo Benedetti; Sérgio Clementi (J. Chem. Inf. Model., 2010)

GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation. - Simon Cross 001; Massimo Baroni; Laura Goracci; Gabriele Cruciani (J. Chem. Inf. Model., 2012)

GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods. - Simon Cross 001; Francesco Ortuso; Massimo Baroni; Giosuè Costa; Simona Distinto; Federica Moraca; Stefano Alcaro; Gabriele Cruciani (J. Chem. Inf. Model., 2012)

Cover Image. - Sara Tortorella; Emanuele Carosati; Giulia Sorbi; Giovanni Bocci; Simon Cross 001; Gabriele Cruciani; Loriano Storchi (J. Comput. Chem., 2021)

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. - Sara Tortorella; Emanuele Carosati; Giulia Sorbi; Giovanni Bocci; Simon Cross 001; Gabriele Cruciani; Loriano Storchi (J. Comput. Chem., 2021)

FragExplorer: GRID-Based Fragment Growing and Replacement. - Simon Cross 001; Gabriele Cruciani (J. Chem. Inf. Model., 2022)

DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction. - Loriano Storchi; Gabriele Cruciani; Simon Cross 001 (J. Chem. Inf. Model., 2023)