Stefano Alcaro - researchr alias

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Viewing Publication 1 - 14 from 14

2023

In Silico Drug Repurposing ApproachFrancesca 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. jcisd, 63(11):3601-3613, June 2023. [doi]

2016

Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex LigandsTeresa Kaserer, Riccardo Rigo, Philipp Schuster, Stefano Alcaro, Claudia Sissi, Daniela Schuster. jcisd, 56(3):484-500, 2016. [doi]

G-quadruplex Structure Prediction and integration in the GenData2020 data modelGiuseppe Tradigo, Francesca Cristiano, Stefano Alcaro, Sergio Greco, Gianluca Pollastri, Pierangelo Veltri, Mattia C. F. Prosperi. bcb 2016: 663-670 [doi]

2015

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and ProteinsFrancesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani. jcisd, 55(10):2256-2274, 2015. [doi]

2014

In Silico Identification and Biological Evaluation of Novel Selective Serum/Glucocorticoid-Inducible Kinase 1 Inhibitors Based on the Pyrazolo-Pyrimidine ScaffoldFrancesco 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. jcisd, 54(7):1828-1832, 2014. [doi]

2013

2012

2009

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 ResistanceStefano Alcaro, Anna Artese, Francesca Ceccherini-Silberstein, Francesco Ortuso, Carlo-Federico Perno, Tobias Sing, Valentina Svicher. jcisd, 49(7):1751-1761, 2009. [doi]

2007

Quasi flexible automatic docking processing for studying stereoselective recognition mechanisms, part 2: Prediction of Delta Delta G of complexation and :::1:::H-NMR NOE correlationStefano Alcaro, F. Gasparrini, O. Incani, L. Caglioti, M. Pierini, C. Villani. jcc, 28(6):1119-1128, 2007. [doi]

2006

GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognitionFrancesco Ortuso, Thierry Langer, Stefano Alcaro. bioinformatics, 22(12):1449-1455, 2006. [doi]

2005

Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin ScaffoldStefano Alcaro, Francesco Ortuso, Robert S. Coleman. jcisd, 45(3):602-609, 2005. [doi]

2000

A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validationStefano Alcaro, F. Gasparrini, O. Incani, S. Mecucci, D. Misiti, M. Pierini, C. Villani. jcc, 21(7):515-530, 2000. [doi]

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