Stefano Alcaro
Orcid: 0000-0002-0437-358X
According to our database1,
Stefano Alcaro
authored at least 14 papers
between 2000 and 2023.
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Bibliography
2023
Targeting SARS-CoV-2 Main Protease: A Successful Story Guided by an <i>In Silico</i> Drug Repurposing Approach.
J. Chem. Inf. Model., June, 2023
2016
Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands.
J. Chem. Inf. Model., 2016
Proceedings of the 7th ACM International Conference on Bioinformatics, 2016
2015
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.
J. Chem. Inf. Model., 2015
2014
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., 2014
2013
Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations.
J. Chem. Inf. Model., 2013
Detecting and understanding genetic and structural features in HIV-1 B subtype V3 underlying HIV-1 co-receptor usage.
Bioinform., 2013
2012
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods.
J. Chem. Inf. Model., 2012
Computer-Aided Molecular Design of Asymmetric Pyrazole Derivatives with Exceptional Enantioselective Recognition toward the Chiralcel OJ-H Stationary Phase.
J. Chem. Inf. Model., 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 Resistance.
J. Chem. Inf. Model., 2009
2007
"Quasi flexible" automatic docking processing for studying stereoselective recognition mechanisms, part 2: Prediction of Delta Delta G of complexation and <sup>1</sup>H-NMR NOE correlation.
J. Comput. Chem., 2007
2006
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition.
Bioinform., 2006
2005
J. Chem. Inf. Model., 2005
2000
A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation.
J. Comput. Chem., 2000