S. Cross

发表

BioGPS: The Music for the Chemo‐ and Bioinformatics Walzer

Lydia Siragusa, F. Spyrakis, L. Goracci, 2014, Molecular informatics.

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

Gabriele Cruciani, Massimo Baroni, Lydia Siragusa, 2015, Proteins.

SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping

Ismael Zamora, Manuel Pastor, Simon Cross, 2009, ChemMedChem.

Evaluating the risk of phospholipidosis using a new multidisciplinary pipeline approach.

L. Goracci, S. Cross, C. Emiliani, 2015, European journal of medicinal chemistry.

Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-β-lactamases

Maria Paola Costi, F. Spyrakis, S. Cross, 2017, Scientific Reports.

The inhibition of extended spectrum β-lactamases: hits and leads.

Maria Paola Costi, F. Spyrakis, S. Cross, 2014, Current medicinal chemistry.

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

B. Cosimelli, S. Cross, E. Carosati, 2014, Molecules.

Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design

Lydia Siragusa, S. Cross, C. Vacca, 2022, International journal of molecular sciences.

Disrupting Protein–Protein Interfaces Using GRID Molecular Interaction Fields

Stefano Alcaro, Gabriele Cruciani, Massimo Baroni, 2013 .

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications

Loriano Storchi, Gabriele Cruciani, Giovanni Bocci, 2021, J. Comput. Chem..

Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases

F. Spyrakis, S. Cross, G. Cruciani, 2020, Scientific Reports.

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

Paolo Benedetti, Simon Cross, Massimo Baroni, 2010, J. Chem. Inf. Model..

Synthetic Peptide Libraries. From random mixtures to in vivo testing.

Gabriele Cruciani, Menotti Ruvo, Annamaria Sandomenico, 2018, Current medicinal chemistry.

New variation on a theme: structure and mechanism of action of hydrolytic antibody 7F11, an aspartate rich relation of catalytic antibodies 17E8 and 29G11.

S. Cross, J. D. Stevenson, N. R. Thomas, 2002, Journal of immunological methods.

Molecular fields in drug discovery: getting old or reaching maturity?

Gabriele Cruciani, Simon Cross, S. Cross, 2010, Drug discovery today.

ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs

Lydia Siragusa, S. Cross, G. Cruciani, 2022, Chemical biology & drug design.

Molecular interaction fields in drug discovery: recent advances and future perspectives

Stefano Alcaro, Anna Artese, Lucia Parrotta, 2013 .

FragExplorer: GRID-Based Fragment Growing and Replacement

S. Cross, G. Cruciani, 2022, J. Chem. Inf. Model..

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

Loriano Storchi, Simon Cross, Francesca Milletti, 2009, J. Chem. Inf. Model..

Visualisation of cyclic and multi-branched molecules with VMD.

John E Stone, Simon Cross, J. Stone, 2009, Journal of molecular graphics & modelling.

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

Simon Cross, Gabriele Cruciani, Massimo Baroni, 2012, J. Chem. Inf. Model..

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

F. Spyrakis, S. Cross, L. Cendron, 2018, ACS medicinal chemistry letters.

GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods

Stefano Alcaro, Federica Moraca, Simona Distinto, 2012, J. Chem. Inf. Model..

Grid-derived structure-based 3D pharmacophores and their performance compared to docking.

Gabriele Cruciani, Simon S. Cross, S. Cross, 2010, Drug discovery today. Technologies.

Improved FlexX Docking Using FlexS-Determined Base Fragment Placement

Simon S. J. Cross, S. Cross, 2005, J. Chem. Inf. Model..