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Stefano Alcaro
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2020 – today
- 2024
- [j14]Lisa Lombardo, Salvatore Mirabile, Rosaria Gitto, Giuseppe Cosentino, Stefano Alcaro, Maria Dichiara, Agostino Marrazzo, Emanuele Amata, Francesco Ortuso, Laura De Luca:
Exploring Structural Requirements for Sigma-1 Receptor Linear Ligands: Experimental and Computational Approaches. J. Chem. Inf. Model. 64(14): 5701-5711 (2024) - 2023
- [j13]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:
Targeting SARS-CoV-2 Main Protease: A Successful Story Guided by an In Silico Drug Repurposing Approach. J. Chem. Inf. Model. 63(11): 3601-3613 (2023)
2010 – 2019
- 2016
- [j12]Teresa Kaserer, Riccardo Rigo, Philipp Schuster, Stefano Alcaro, Claudia Sissi, Daniela Schuster:
Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands. J. Chem. Inf. Model. 56(3): 484-500 (2016) - [c1]Giuseppe Tradigo, Francesca Cristiano, Stefano Alcaro, Sergio Greco, Gianluca Pollastri, Pierangelo Veltri, Mattia Prosperi:
G-quadruplex Structure Prediction and integration in the GenData2020 data model. BCB 2016: 663-670 - 2015
- [j11]Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani:
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. J. Chem. Inf. Model. 55(10): 2256-2274 (2015) - 2014
- [j10]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:
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. 54(7): 1828-1832 (2014) - 2013
- [j9]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:
Detecting and understanding genetic and structural features in HIV-1 B subtype V3 underlying HIV-1 co-receptor usage. Bioinform. 29(4): 451-460 (2013) - [j8]Stefano Alcaro, Sandro Giuseppe Chiodo, Monica Leopoldini, Francesco Ortuso:
Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations. J. Chem. Inf. Model. 53(1): 66-75 (2013) - 2012
- [j7]Stefano Alcaro, Adriana Bolasco, Roberto Cirilli, Rosella Ferretti, Rossella Fioravanti, Francesco Ortuso:
Computer-Aided Molecular Design of Asymmetric Pyrazole Derivatives with Exceptional Enantioselective Recognition toward the Chiralcel OJ-H Stationary Phase. J. Chem. Inf. Model. 52(3): 649-654 (2012) - [j6]Simon Cross, Francesco Ortuso, Massimo Baroni, Giosuè Costa, Simona Distinto, Federica Moraca, Stefano Alcaro, Gabriele Cruciani:
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods. J. Chem. Inf. Model. 52(10): 2599-2608 (2012)
2000 – 2009
- 2009
- [j5]Stefano Alcaro, Anna Artese, Francesca Ceccherini-Silberstein, Francesco Ortuso, Carlo-Federico Perno, Tobias Sing, Valentina Svicher:
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. 49(7): 1751-1761 (2009) - 2007
- [j4]Stefano Alcaro, Francesco Gasparrini, O. Incani, L. Caglioti, Marco Pierini, Claudio Villani:
"Quasi flexible" automatic docking processing for studying stereoselective recognition mechanisms, part 2: Prediction of Delta Delta G of complexation and 1H-NMR NOE correlation. J. Comput. Chem. 28(6): 1119-1128 (2007) - 2006
- [j3]Francesco Ortuso, Thierry Langer, Stefano Alcaro:
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition. Bioinform. 22(12): 1449-1455 (2006) - 2005
- [j2]Stefano Alcaro, Francesco Ortuso, Robert S. Coleman:
Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold. J. Chem. Inf. Model. 45(3): 602-609 (2005) - 2000
- [j1]Stefano Alcaro, Francesco Gasparrini, O. Incani, S. Mecucci, D. Misiti, Marco Pierini, Claudio Villani:
A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation. J. Comput. Chem. 21(7): 515-530 (2000)
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last updated on 2024-10-16 21:23 CEST by the dblp team
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