Stefano Alcaro

15 papers Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
Exploring Structural Requirements for Sigma-1 Receptor Linear Ligands: Experimental and Computational Approaches.
J. Chem. Inf. Model.
Lisa Lombardo, Salvatore Mirabile, Rosaria Gitto, Giuseppe Cosentino, Stefano Alcaro, Maria Dichiara, Agostino Marrazzo, Emanuele Amata, Francesco Ortuso, Laura De Luca
2023 J jnl
Targeting SARS-CoV-2 Main Protease: A Successful Story Guided by an
J. Chem. Inf. Model.
Francesca Alessandra Ambrosio, Giosuè Costa, Isabella Romeo, Francesca Esposito, Mohammad Alkhatib, Romina Salpini, Valentina Svicher, Angela Corona, Paolo Malune, Enzo Tramontano, Francesca Ceccherini-Silberstein, Stefano Alcaro, Anna Artese
2016 — conf
G-quadruplex Structure Prediction and integration in the GenData2020 data model.
BCB
Giuseppe Tradigo, Francesca Cristiano, Stefano Alcaro, Sergio Greco, Gianluca Pollastri, Pierangelo Veltri, Mattia Prosperi
2016 J jnl
Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands.
J. Chem. Inf. Model.
Teresa Kaserer, Riccardo Rigo, Philipp Schuster, Stefano Alcaro, Claudia Sissi, Daniela Schuster
2015 J jnl
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.
J. Chem. Inf. Model.
Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani
2014 J jnl
In Silico Identification and Biological Evaluation of Novel Selective Serum/Glucocorticoid-Inducible Kinase 1 Inhibitors Based on the Pyrazolo-Pyrimidine Scaffold.
J. Chem. Inf. Model.
Francesco Ortuso, Rosario Amato, Anna Artese, Lucia D'antona, Giosuè Costa, Cristina Talarico, Francesco Gigliotti, Cataldo Bianco, Francesco Trapasso, Silvia Schenone, Francesca Musumeci, Lorenzo Botta, Nicola Perrotti, Stefano Alcaro
2013 J jnl
Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations.
J. Chem. Inf. Model.
Stefano Alcaro, Sandro Giuseppe Chiodo, Monica Leopoldini, Francesco Ortuso
2013 J jnl
Detecting and understanding genetic and structural features in HIV-1 B subtype V3 underlying HIV-1 co-receptor usage.
Bioinform.
Mengjie Chen, Valentina Svicher, Anna Artese, Giosuè Costa, Claudia Alteri, Francesco Ortuso, Lucia Parrotta, Yang Liu, Chang Liu, Carlo-Federico Perno, Stefano Alcaro, Jing Zhang
2012 J jnl
Computer-Aided Molecular Design of Asymmetric Pyrazole Derivatives with Exceptional Enantioselective Recognition toward the Chiralcel OJ-H Stationary Phase.
J. Chem. Inf. Model.
Stefano Alcaro, Adriana Bolasco, Roberto Cirilli, Rosella Ferretti, Rossella Fioravanti, Francesco Ortuso
2012 J jnl
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods.
J. Chem. Inf. Model.
Simon Cross, Francesco Ortuso, Massimo Baroni, Giosuè Costa, Simona Distinto, Federica Moraca, Stefano Alcaro, Gabriele Cruciani
2009 J jnl
Molecular Dynamics and Free Energy Studies on the Wild-Type and Mutated HIV-1 Protease Complexed with Four Approved Drugs: Mechanism of Binding and Drug Resistance.
J. Chem. Inf. Model.
Stefano Alcaro, Anna Artese, Francesca Ceccherini-Silberstein, Francesco Ortuso, Carlo-Federico Perno, Tobias Sing, Valentina Svicher
2007 J jnl
"Quasi flexible" automatic docking processing for studying stereoselective recognition mechanisms, part 2: Prediction of Delta Delta G of complexation and
J. Comput. Chem.
Stefano Alcaro, Francesco Gasparrini, O. Incani, L. Caglioti, Marco Pierini, Claudio Villani
2006 J jnl
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition.
Bioinform.
Francesco Ortuso, Thierry Langer, Stefano Alcaro
2005 J jnl
Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold.
J. Chem. Inf. Model.
Stefano Alcaro, Francesco Ortuso, Robert S. Coleman
2000 J jnl
A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation.
J. Comput. Chem.
Stefano Alcaro, Francesco Gasparrini, O. Incani, S. Mecucci, D. Misiti, Marco Pierini, Claudio Villani