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Simon Cross

Observed names: Cross, Simon, Simon S. J. Cross, Simon S.J Cross
ORCID: 0000-0002-8736-4397
Observed ORCID: 0000-0002-8736-4397
OpenAlex ID: A5032652911
Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases
2009 · Francesca Milletti, Loriano Storchi, et al. · Journal of Chemical Information and Modeling · 143
FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set
2010 · Simon Cross, Massimo Baroni, et al. · Journal of Chemical Information and Modeling · 102
BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity
2015 · Lydia Siragusa, Simon Cross, et al. · Proteins Structure Function and Bioinformatics · 96
GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation
2012 · Simon Cross, Massimo Baroni, et al. · Journal of Chemical Information and Modeling · 92
Molecular fields in drug discovery: getting old or reaching maturity?
2009 · Simon Cross, Gabriele Cruciani · Drug Discovery Today · 71
Structure-Based Virtual Screening for the Discovery of Novel Inhibitors of New Delhi Metallo-β-lactamase-1
2017 · Francesca Spyrakis, Giuseppe Celenza, et al. · ACS Medicinal Chemistry Letters · 53
Molecular interaction fields in drug discovery: recent advances and future perspectives
2013 · Anna Artese, Simon Cross, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 50
Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-β-lactamases
2017 · Matteo Santucci, Francesca Spyrakis, et al. · Scientific Reports · 44
Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases
2020 · Francesca Spyrakis, Matteo Santucci, et al. · Scientific Reports · 42
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GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
2012 · Simon Cross, Francesco Ortuso, et al. · Journal of Chemical Information and Modeling · 41
Improved FlexX Docking Using FlexS-Determined Base Fragment Placement
2005 · Simon S. J. Cross · Journal of Chemical Information and Modeling · 38
Evaluating the risk of phospholipidosis using a new multidisciplinary pipeline approach
2014 · Laura Goracci, Sandra Buratta, et al. · European Journal of Medicinal Chemistry · 35
Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A Pharmacophore
2015 · Donatella Tondi, Simon Cross, et al. · Current Drug Targets · 30
ELIOT : A platform to navigate the E3 pocketome and aid the design of new PROTACs
2022 · Tommaso Palomba, Massimo Baroni, et al. · Chemical Biology & Drug Design · 26
The Inhibition of Extended Spectrum β-Lactamases: Hits and Leads
2014 · Davide Farina, Francesca Spyrakis, et al. · Current Medicinal Chemistry · 24
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications
2021 · Sara Tortorella, Emanuele Carosati, et al. · Journal of Computational Chemistry · 23
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Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential
2024 · Sonja Peter, Lydia Siragusa, et al. · Journal of Chemical Information and Modeling · 22
SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping
2009 · Fabien Fontaine, Simon Cross, et al. · ChemMedChem · 20
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction
2023 · Loriano Storchi, Gabriele Cruciani, et al. · Journal of Chemical Information and Modeling · 14
FragExplorer: GRID-Based Fragment Growing and Replacement
2022 · Simon Cross, Gabriele Cruciani · Journal of Chemical Information and Modeling · 14
BioGPS: The Music for the Chemo‐ and Bioinformatics Walzer
2014 · Lydia Siragusa, Francesca Spyrakis, et al. · Molecular Informatics · 14
Grid-derived structure-based 3D pharmacophores and their performance compared to docking
2010 · Simon Cross, Gabriele Cruciani · Drug Discovery Today Technologies · 14
Synthetic Peptide Libraries: From Random Mixtures to In Vivo Testing
2018 · Annamaria Sandomenico, Andrea Caporale, et al. · Current Medicinal Chemistry · 10
Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design
2022 · Tommaso Palomba, Giusy Tassone, et al. · International Journal of Molecular Sciences · 9
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Playing with Opening and Closing of Heterocycles: Using the Cusmano-Ruccia Reaction to Develop a Novel Class of Oxadiazolothiazinones, Active as Calcium Channel Modulators and P-Glycoprotein Inhibitors
2014 · Domenico Spinelli, Roberta Budriesi, et al. · Molecules · 7
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Works count: 33
Citation count: 1,039
H-index: 18
I10-index: 23
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