Molecular Modeling Studies of Human A3 Adenosine Antagonists: Structural Homology and Receptor Docking. - Stefano Moro; An-Hu Li; Kenneth A. Jacobson (J. Chem. Inf. Comput. Sci., 1998)

Tandem 3D-QSARs Approach as a Valuable Tool To Predict Binding Affinity Data: Design of New Gly/NMDA Receptor Antagonists as a Key Study. - Magdalena Bacilieri; Flavia Varano; Francesca Deflorian; M. Marini; Daniela Catarzi; Vittoria Colotta; Guido Filacchioni; Alessandro Galli; Chiara Costagli; Chosei Kaseda; Stefano Moro (J. Chem. Inf. Model., 2007)

In Silico Binding Free Energy Predictability by Using the Linear Interaction Energy (LIE) Method: Bromobenzimidazole CK2 Inhibitors as a Case Study. - Andrea Bortolato; Stefano Moro (J. Chem. Inf. Model., 2007)

MMsINC®: A New Public Large-Scale Chemoinformatics Database System. - Marco Fanton; Matteo Floris; Gianfranco Frau; Mattia Sturlese; Joel Masciocchi; Piergiorgio Palla; Fabian Cedrati; Patricia Rodriguez-Tomé; Stefano Moro (BIOTECHNO, 2008)

Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2A Receptor. - Lisa Michielan; Magdalena Bacilieri; Andrea Schiesaro; Chiara Bolcato; Giorgia Pastorin; Giampiero Spalluto; Barbara Cacciari; Karl Norbert Klotz; Chosei Kaseda; Stefano Moro (J. Chem. Inf. Model., 2008)

PCA-Based Representations of Graphs for Prediction in QSAR Studies. - Riccardo Cardin; Lisa Michielan; Stefano Moro; Alessandro Sperduti (ICANN (2), 2009)

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study. - Lisa Michielan; Stephanie Federico; Lothar Terfloth; Dimitar Hristozov; Barbara Cacciari; Karl Norbert Klotz; Giampiero Spalluto; Johann Gasteiger; Stefano Moro (J. Chem. Inf. Model., 2009)

Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates. - Lisa Michielan; Lothar Terfloth; Johann Gasteiger; Stefano Moro (J. Chem. Inf. Model., 2009)

MMsINC: a large-scale chemoinformatics database. - Joel Masciocchi; Gianfranco Frau; Marco Fanton; Mattia Sturlese; Matteo Floris; Luca Pireddu; Piergiorgio Palla; Fabian Cedrati; Patricia Rodriguez-Tomé; Stefano Moro (Nucleic Acids Res., 2009)

Fingerprint-based detection of acute aquatic toxicity. - Luca Pireddu; Lisa Michielan; Matteo Floris; Patricia Rodriguez-Tomé; Stefano Moro (J. Cheminformatics, 2010)

Pharmaceutical Perspectives of Nonlinear QSAR Strategies. - Lisa Michielan; Stefano Moro (J. Chem. Inf. Model., 2010)

Swimming into peptidomimetic chemical space using pepMMsMIMIC. - Matteo Floris; Joel Masciocchi; Marco Fanton; Stefano Moro (Nucleic Acids Res., 2011)

Revisiting a Receptor-Based Pharmacophore Hypothesis for Human A2A Adenosine Receptor Antagonists. - Magdalena Bacilieri; Antonella Ciancetta; Silvia Paoletta; Stephanie Federico; Sandro Cosconati; Barbara Cacciari; Sabrina Taliani; Federico Da Settimo; Ettore Novellino; Karl Norbert Klotz; Giampiero Spalluto; Stefano Moro (J. Chem. Inf. Model., 2013)

Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A2A Receptor as a Case Study. - Antonella Ciancetta; Alberto Cuzzolin; Stefano Moro (J. Chem. Inf. Model., 2014)

Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR-Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study. - Davide Sabbadin; Antonella Ciancetta; Stefano Moro (J. Chem. Inf. Model., 2014)

Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor-Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study. - Davide Sabbadin; Antonella Ciancetta; Stefano Moro (J. Chem. Inf. Model., 2014)

Supervised Molecular Dynamics (SuMD) as a Helpful Tool To Depict GPCR-Ligand Recognition Pathway in a Nanosecond Time Scale. - Davide Sabbadin; Stefano Moro (J. Chem. Inf. Model., 2014)

Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information. - Silvia Paoletta; Davide Sabbadin; Ivar von Kügelgen; Sonja Hinz; Vsevolod Katritch; Kristina Hoffmann; Aliaa Abdelrahman; Jens Straßburger; Younis Baqi; Qiang Zhao; Raymond C. Stevens; Stefano Moro; et al. (J. Comput. Aided Mol. Des., 2015)

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015. - Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro (J. Comput. Aided Mol. Des., 2016)

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations. - Alberto Cuzzolin; Mattia Sturlese; Giuseppe Deganutti; Veronica Salmaso; Davide Sabbadin; Antonella Ciancetta; Stefano Moro (J. Chem. Inf. Model., 2016)

Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench. - Enrico Margiotta; Giuseppe Deganutti; Stefano Moro (J. Comput. Aided Mol. Des., 2018)

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2. - Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro (J. Comput. Aided Mol. Des., 2018)

A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. - Giuseppe Deganutti; Stefano Moro; Christopher A. Reynolds (J. Chem. Inf. Model., 2020)

Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. - Enrico Margiotta; Stephanie C. C. van der Lubbe; Lucas de Azevedo Santos; Gábor Paragi; Stefano Moro; Friedrich Matthias Bickelhaupt; Célia Fonseca Guerra (J. Chem. Inf. Model., 2020)

Experimental UAV-Aided RSSI Localization of a Ground RF Emitter in 865 MHz and 2.4 GHz Bands. - Stefano Moro; Vineeth Teeda; Davide Scazzoli; Luca Reggiani; Maurizio Magarini (VTC Spring, 2022)

Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations. - Matteo Pavan; Silvia Menin; Davide Bassani; Mattia Sturlese; Stefano Moro (J. Chem. Inf. Model., 2022)

Uav-Borne Bistatic Sar and Insar Experiments in Support of STV and SDC Target Observables. - Se-Yeon Jeon; Brian P. Hawkins; Samuel Prager; Matthew Anderson; Stefano Moro; Robert Beauchamp; Eric Loria; Soon-Jo Chung; Marco Lavalle (IGARSS, 2023)

Fighting Antimicrobial Resistance: Insights on How the Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations. - Deborah Palazzotti; Tommaso Felicetti; Stefano Sabatini; Stefano Moro; Maria Letizia Barreca; Mattia Sturlese; Andrea Astolfi (J. Chem. Inf. Model., 2023)

Exploring ISAC Technology for UAV SAR Imaging. - Stefano Moro; Francesco Linsalata; Marco Manzoni; Maurizio Magarini; Stefano Tebaldini (ICC, 2024)

ISAC Technology in Action: UAV-Based SAR Imaging Potential. - Stefano Moro; Marco Manzoni; Francesco Linsalata; Stefano Tebaldini (IGARSS, 2024)

Enhancing User Localization with an Integrated Sensing and Communication (ISAC) System: An Experimental UAV Search-and-Rescue Use Case. - Stefano Moro; Francesco Linsalata; Marco Manzoni; Maurizio Magarini; Stefano Tebaldini (Remote. Sens., 2024)

Post-Docking Refinement of Peptide or Protein-RNA Complexes Using Thermal Titration Molecular Dynamics (TTMD): A Stability Insight. - Andrea Dodaro; Gianluca Novello; Silvia Menin; Chiara Cavastracci Strascia; Mattia Sturlese; Veronica Salmaso; Stefano Moro (J. Chem. Inf. Model., 2025)

Thermal Titration Molecular Dynamics: The Revenge of the Fragments. - Matteo Pavan; Silvia Menin; Andrea Dodaro; Gianluca Novello; Chiara Cavastracci Strascia; Mattia Sturlese; Veronica Salmaso; Stefano Moro (J. Chem. Inf. Model., 2025)

Differentiation and Localization of Ground RF Transmitters Through RSSI Measures From a UAV. - Vineeth Teeda; Stefano Moro; Davide Scazzoli; Luca Reggiani; Maurizio Magarini (IEEE Trans. Veh. Technol., 2025)