Simon Cross

Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases

Francesca Milletti, Loriano Storchi, Gianluca Sforna et al. · Journal of Chemical Information and Modeling · 2009 · 141 citations

Combinatorial Chemistry, Engineering, Chemical Analysis +25

FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set

Simon Cross, Massimo Baroni, Emanuele Carosati et al. · Journal of Chemical Information and Modeling · 2010 · 103 citations

Engineering, Hit Identification, Molecular Biology +16

BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity

Lydia Siragusa, Simon Cross, Massimo Baroni et al. · Proteins Structure Function and Bioinformatics · 2015 · 91 citations

GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation

Simon Cross, Massimo Baroni, Laura Goracci et al. · Journal of Chemical Information and Modeling · 2012 · 88 citations

Grid-based Three-dimensional Pharmacophores, Drug Target, Novel Approach +16

Structure-Based Virtual Screening for the Discovery of Novel Inhibitors of New Delhi Metallo-β-lactamase-1

Francesca Spyrakis, Giuseppe Celenza, Francesca Marcoccia et al. · ACS Medicinal Chemistry Letters · 2017 · 46 citations · Full text

Drug Target, Antibiotic Resistance, Bacterial Pathogens +29