P. Tosco

Most-cited papers

1. Bringing the MMFF force field to the RDKit: implementation and validation

   P. Tosco, N. Stiefl, G. Landrum

   2014Journal of Cheminformatics253 citations Open access

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2. Assessment of Binding Affinity via Alchemical Free-Energy Calculations

   M. Kuhn, S. Firth-Clark, P. Tosco, A. Mey +2 more

   2020Journal of Chemical Information and Modeling186 citations Open access

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3. Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

   P. Tosco, T. Balle

   2011Journal of Molecular Modeling153 citations

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4. Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

   P. Tosco, T. Balle, Fereshteh Shiri

   2011J. Comput. Aided Mol. Des.121 citations

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5. Effect of structure of the electrical performance of gas diffusion electrodes for metal air batteries

   M. Maja, C. Orecchia, M. Strano, P. Tosco +1 more

   200091 citations

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6. Surgical treatment and reconstruction for central giant cell granuloma of the jaws: a review of 18 cases.

   P. Tosco, Giulia Tanteri, C. Iaquinta, M. Fasolis +3 more

   2009Journal of cranio-maxillo-facial surgery : official publication of the European Association for Cranio-Maxillo-Facial Surgery78 citations

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7. NO-donor COX-2 inhibitors. New nitrooxy-substituted 1,5-diarylimidazoles endowed with COX-2 inhibitory and vasodilator properties.

   K. Chegaev, L. Lazzarato, P. Tosco, C. Cena +5 more

   2007Journal of Medicinal Chemistry57 citations Open access

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8. Physicochemical Profiling of Sartans: A Detailed Study of Ionization Constants and Distribution Coefficients

   P. Tosco, B. Rolando, R. Fruttero, Yveline Henchoz +3 more

   200856 citations Open access

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9. Long-term clinical and radiological outcomes for the surgical treatment of mandibular condylar fractures.

   G. Gerbino, P. Boffano, P. Tosco, S. Berrone

   2009Journal of oral and maxillofacial surgery53 citations

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10. Parameters and outcomes in 525 patients operated on for oral squamous cell carcinoma.

    P. Garzino-Demo, E. Zavattero, P. Franco, M. Fasolis +13 more

    2016Journal of cranio-maxillo-facial surgery : official publication of the European Association for Cranio-Maxillo-Facial Surgery40 citations Open access

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11. Edaravone derivatives containing NO-donor functions.

    K. Chegaev, C. Cena, M. Giorgis, B. Rolando +5 more

    2009Journal of Medicinal Chemistry39 citations Open access

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12. Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin

    P. Tosco, L. Lazzarato

    2009ChemMedChem38 citations Open access

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13. Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies

    Jenke Scheen, Wilson Wu, A. Mey, P. Tosco +2 more

    2020Journal of Chemical Information and Modeling37 citations Open access

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14. Composite hemangioendothelioma of the oral cavity: Case report and review of the literature

    M. Fasolis, C. Iaquinta, M. Montesco, P. Garzino-Demo +5 more

    2008Head and Neck37 citations

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15. Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors.

    M. Bozdağ, Tobias Dreker, C. Henry, P. Tosco +5 more

    2013Bioorganic & Medicinal Chemistry Letters36 citations Open access

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16. COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles

    A. Klamt, M. Thormann, Karin Wichmann, P. Tosco

    2012Journal of Chemical Information and Modeling35 citations

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17. New inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold.

    M. Lolli, M. Giorgis, P. Tosco, A. Foti +2 more

    2012European journal of medicinal chemistry31 citations Open access

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18. The platysma myocutaneous flap (PMF) for head and neck reconstruction: a retrospective and multicentric analysis of 91 T1-T2 patients.

    P. Tosco, P. Garzino-Demo, G. Ramieri, Giulia Tanteri +5 more

    2012Journal of cranio-maxillo-facial surgery : official publication of the European Association for Cranio-Maxillo-Facial Surgery31 citations Open access

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19. A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

    P. Tosco, T. Balle

    2012Journal of Chemical Information and Modeling27 citations

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20. Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs).

    M. Lolli, B. Rolando, P. Tosco, S. Chaurasia +7 more

    2010Bioorganic & Medicinal Chemistry25 citations Open access

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21. 1,2,5-Oxadiazole analogues of leflunomide and related compounds.

    M. Giorgis, M. Lolli, B. Rolando, A. Rao +5 more

    2011European journal of medicinal chemistry24 citations Open access

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22. [3-(1H-imidazol-4-yl)propyl]guanidines containing furoxan moieties: a new class of H3-antagonists endowed with NO-donor properties.

    M. Bertinaria, A. di Stilo, P. Tosco, G. Sorba +5 more

    2003Bioorganic & Medicinal Chemistry22 citations

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23. Multitarget drugs: Focus on the NO-donor hybrid drugs

    A. Gasco, D. Boschi, K. Chegaev, C. Cena +5 more

    200821 citations Open access

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24. The integration of Open3DTOOLS into the RDKit and KNIME

    P. Tosco, N. Stiefl, G. Landrum

    2014Journal of Cheminformatics20 citations Open access

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25. A mechanistic hypothesis for the aspirin-induced switch in lipid mediator production by cyclooxygenase-2.

    P. Tosco

    2013Journal of the American Chemical Society19 citations

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26. Synthesis and vasodilating properties of N-alkylamide derivatives of 4-amino-3-furoxancarboxylic acid and related azo derivatives.

    I. Ovchinnikov, A. S. Kulikov, N. N. Makhova, P. Tosco +3 more

    2003Il Farmaco17 citations

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27. Design and Synthesis of a γ(1)β(8)-Cyclodextrin Oligomer: A New Platform with Potential Application as a Dendrimeric Multicarrier.

    A. Barge, M. Caporaso, G. Cravotto, K. Martina +6 more

    2013Chemistry16 citations Open access

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28. 6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity.

    D. Boschi, P. Tosco, N. Chandra, S. Chaurasia +4 more

    2013European journal of medicinal chemistry16 citations Open access

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29. Furoxan analogues of the histamine H3-receptor antagonist imoproxifan and related furazan derivatives.

    P. Tosco, M. Bertinaria, A. di Stilo, C. Cena +3 more

    2005Bioorganic & Medicinal Chemistry16 citations

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30. Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.

    Christopher Woods, Lester Hedges, A. Mulholland, Maturos Malaisree +10 more

    2024Journal of Chemical Physics15 citations Open access

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31. Correlation between Skp2 expression and nodal metastasis in stage I and II oral squamous cell carcinomas.

    P. Tosco, G. M. La Terra Maggiore, P. Forni, S. Berrone +2 more

    2011Oral Diseases15 citations Open access

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32. Chemical Reactivity Prediction: Current Methods and Different Application Areas

    P. Ertl, Grégori Gerebtzoff, Richard A. Lewis, Hagen Muenkler +4 more

    2021Molecular Informatics14 citations

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33. Complementary three-dimensional quantitative structure-activity relationship modeling of binding affinity and functional potency: a study on alpha4beta2 nicotinic ligands.

    P. Tosco, P. Ahring, T. Dyhring, D. Peters +3 more

    2009Journal of Medicinal Chemistry14 citations Open access

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34. Hydroxy-1,2,5-oxadiazolyl moiety as bioisoster of the carboxy function. A computational study on γ-aminobutyric acid (GABA) related compounds

    P. Tosco, M. Lolli

    2008Journal of Molecular Modeling13 citations Open access

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35. NO‐donor melatonin derivatives: synthesis and in vitro pharmacological characterization

    K. Chegaev, L. Lazzarato, B. Rolando, E. Marini +9 more

    2007Journal of Pineal Research13 citations Open access

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36. A new class of NO-donor H3-antagonists.

    P. Tosco, M. Bertinaria, A. di Stilo, E. Marini +4 more

    2004Il Farmaco11 citations

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37. A One-Dimensional Model of Gas-Diffusion Electrodes for O 2 Reduction

    M. Maja, P. Tosco, M. Vanni

    200111 citations Open access

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38. SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects

    P. Tosco, T. Balle, Fereshteh Shiri

    2011Journal of Molecular Modeling10 citations

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39. Mucoepidermoid carcinoma of the lacrimal sac masquerading as dacryocystitis.

    F. Bianchi, P. Tosco, P. Campisi, A. Namsyl-Kaletka +2 more

    2010The Journal of craniofacial surgery (Print)10 citations

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40. Thymopentin down-regulates both activity and expression of iNOS in blood cells of Sézary syndrome patients.

    A. Patruno, P. Tosco, Emily Borretto, S. Franceschelli +6 more

    2012Nitric oxide8 citations Open access

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41. Progressive midfacial bone erosion and necrosis: case report and differential diagnosis.

    F. Bianchi, G. Gerbino, P. Tosco, Giulia Tanteri +2 more

    2014Journal of cranio-maxillo-facial surgery : official publication of the European Association for Cranio-Maxillo-Facial Surgery7 citations

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42. Nitrooxyacyl Derivatives of Salicylic Acid: Aspirin‐Like Molecules that Covalently Inactivate Cyclooxygenase‐1

    C. Cena, P. Tosco, E. Marini, L. Lazzarato +5 more

    2011ChemMedChem7 citations

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43. Lessons and Successes in the Use of Molecular Fields

    P. Tosco, M. Mackey

    20176 citations

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44. Non-imidazole histamine NO-donor H3-antagonists.

    P. Tosco, M. Bertinaria, A. di Stilo, C. Cena +2 more

    2005Il Farmaco5 citations

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45. The role of fluorine in stabilizing the bioactive conformation of dihydroorotate dehydrogenase inhibitors

    Silvia Bonomo, P. Tosco, M. Giorgis, M. Lolli +1 more

    2013Journal of Molecular Modeling4 citations Open access

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46. Brute-force pharmacophore assessment and scoring with Open3DQSAR

    P. Tosco, T. Balle

    2011Journal of Cheminformatics4 citations Open access

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47. Structure–Antioxidant Activity Relationships in a Series of NO‐Donor Phenols

    P. Tosco, E. Marini, B. Rolando, L. Lazzarato +6 more

    2008ChemMedChem4 citations Open access

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48. Identification and Analysis of Activity Cliffs Using 3D Similarity Techniques

    M. Mackey, T. Cheeseright, P. Tosco

    20203 citations Open access

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49. Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

    M. Kuhn, S. Firth-Clark, P. Tosco, A. Mey +2 more

    20202 citations Open access

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50. A Hybrid Alchemical Free Energy and Machine Learning Methodology for the Calculation of Absolute Hydration Free Energies of Small Molecules

    Jenke Scheen, Wilson Wu, A. Mey, P. Tosco +2 more

    20202 citations Open access

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