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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

F. Ortuso

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2 papers indexed here

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Open access Sep 2026

In silico-guided design, synthesis and in vitro evaluation of thiazolo-pyridines targeting SARS-CoV-2 Nsp13.

In the search for novel antiviral agents targeting SARS-CoV-2 non-structural protein 13 (Nsp13), we applied an integrated in silico drug design workflow combining ADME profiling, molecular interaction field analysis, molecular docking and thermodynamic evaluations to identify thiazolo-pyridine derivatives as promising...

R. Bivacqua, Roberta Emmolo, Gianmarco Gualtieri et al. · 0 citations
Open access Aug 2026

Identification of New Putative Autotaxin Inhibitors via Structure‐Based Virtual Screening and Evaluation of Their Antiproliferative Properties Against Ovarian and Breast Cancer Cells

A virtual screening study of an in‐house molecular database of an in‐house molecular database highlighted five putative ATX inhibitors, demonstrating preliminary phenotypic effects, inhibiting cell proliferation with IC50 values mostly in the low micromolar range.

Angelina Boccarelli, Adriana Coricello, F. Ambrosio et al. · 0 citations

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