Davide Bassani

Roche (Switzerland) — Switzerland

Computer Science · Physical Sciences

16h-index793citations38works6.22yr avg
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Research Topics

Computational Drug Discovery Methods(18), SARS-CoV-2 and COVID-19 Research(10), Protein Structure and Dynamics(6), Adenosine and Purinergic Signaling(5), Receptor Mechanisms and Signaling(4)

Publications38 total

High-Throughput Physiologically Based Pharmacokinetic Model for Rodent Pharmacokinetics Prediction Using Machine Learning-Predicted Inputs and a Large <i>In Vivo</i> Pharmacokinetics Data Set
Molecular Pharmaceutics·2026Open Access
Leveraging machine learning predicted confidence for boosting assay submission and decision-making efficiencies
European Journal of Medicinal Chemistry·2025· 1 cited
Evaluating AutoGrow4 – an open-source toolkit for semi-automated computer-aided drug discovery
Expert Opinion on Drug Discovery·2025· 2 cited
A comprehensive study of SARS-CoV-2 main protease (Mpro) inhibitor-resistant mutants selected in a VSV-based system
PLoS Pathogens·2024· 10 citedOpen Access
7-Amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines as CK1δ inhibitors: Exploring substitutions at the 2 and 5-positions
Bioorganic Chemistry·2024· 1 citedOpen Access
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules
Expert Opinion on Drug Discovery·2024· 23 citedOpen Access
A comprehensive study of SARS-CoV-2 main protease (M <sup>pro</sup> ) inhibitor-resistant mutants selected in a VSV-based system
2023· 9 citedOpen Access
Federated Learning in Computational Toxicology: An Industrial Perspective on the Effiris Hackathon
Chemical Research in Toxicology·2023· 16 citedOpen Access
A comprehensive study of SARS-CoV-2 main protease (M pro ) inhibitor-resistant mutants selected in a VSV-based system
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Molecular Modeling Unveils the Effective Interaction of B-RAF Inhibitors with Rare B-RAF Insertion Variants
International Journal of Molecular Sciences·2023· 5 citedOpen Access
Front Cover: Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors (ChemMedChem 14/2023)
ChemMedChem·2023Open Access
Correction: Bassani, D.; Moro, S. Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. Molecules 2023, 28, 3906
Molecules·2023· 2 citedOpen Access
Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies
Molecules·2023· 94 citedOpen Access
Structural Manipulations of Marine Natural Products Inspire a New Library of 3-Amino-1,2,4-Triazine PDK Inhibitors Endowed with Antitumor Activity in Pancreatic Ductal Adenocarcinoma
Marine Drugs·2023· 26 citedOpen Access
Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors
ChemMedChem·2023· 3 citedOpen Access
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma
International Journal of Molecular Sciences·2023· 37 citedOpen Access
1,2,4-Amino-triazine derivatives as pyruvate dehydrogenase kinase inhibitors: Synthesis and pharmacological evaluation
European Journal of Medicinal Chemistry·2023· 43 citedOpen Access
“Dual Anta-Inhibitors” of the A2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies
Pharmaceuticals·2023· 13 citedOpen Access
Physiologically Based Biopharmaceutics Modeling of Food Effect for Basmisanil: A Retrospective Case Study of the Utility for Formulation Bridging
Pharmaceutics·2023· 10 citedOpen Access
In Silico Insights Toward the Exploration of Adenosine Receptors Ligand Recognition
Topics in medicinal chemistry·2023
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Frequent Co-authors

Stefano Moro(33), Matteo Pavan(26), Mattia Sturlese(15), Giovanni Bolcato(9), Stephanie Federico(6), Giampiero Spalluto(6), Silvia Menin(5), Emmanuel Heilmann(4), Francesco Costacurta(4), Seyed Arad Moghadasi(4), David Bante(4), Reuben S. Harris(4), Dorotheé von Laer(4), Maicol Bissaro(4), Camilla Pecoraro(3), Michele De Franco(3), Daniela Carbone(3), Stella Cascioferro(3), Barbara Parrino(3), Girolamo Cirrincione(3)