Showing 1 - 12 results of 12 for search 'Carmen Cerchia', query time: 0.04s Refine Results
  1. 1
    In Silico Drug Design and Discovery: Big Data for Small Molecule Design

    In Silico Drug Design and Discovery: Big Data for Small Molecule Design by Carmen Cerchia, Antonio Lavecchia

    Published 2022-12-01
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  2. 2
    Deep generative models in the quest for anticancer drugs: ways forward

    Deep generative models in the quest for anticancer drugs: ways forward by Virgilio Romanelli, Carmen Cerchia, Antonio Lavecchia

    Published 2024-02-01
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  3. 3
    Exploring Structural Relationships between Bioactive and Commercial Chemical Space and Developing Target Hypotheses for Compound Acquisition

    Exploring Structural Relationships between Bioactive and Commercial Chemical Space and Developing Target Hypotheses for Compound Acquisition by Carmen Cerchia, Dilyana Dimova, Antonio Lavecchia, Jürgen Bajorath

    Published 2017-11-01
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  4. 4
    SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells

    SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells by Rolando Cannalire, Irina Stefanelli, Carmen Cerchia, Andrea R. Beccari, Sveva Pelliccia, Vincenzo Summa

    Published 2020-08-01
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  5. 5
    Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme

    Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme by Rosario Rullo, Carmen Cerchia, Rosarita Nasso, Virgilio Romanelli, Emmanuele De Vendittis, Mariorosario Masullo, Antonio Lavecchia

    Published 2023-03-01
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  6. 6
    “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool

    “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool by Candida Manelfi, Marica Gemei, Carmine Talarico, Carmen Cerchia, Anna Fava, Filippo Lunghini, Andrea Rosario Beccari

    Published 2021-07-01
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  7. 7
    In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen <i>Streptococcus mutans</i>

    In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen <i>Streptococcus mutans</i> by Carmen Cerchia, Emanuela Roscetto, Rosarita Nasso, Maria Rosaria Catania, Emmanuele De Vendittis, Antonio Lavecchia, Mariorosario Masullo, Rosario Rullo

    Published 2022-04-01
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  8. 8
    Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations

    Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations by Alessandro Grottesi, Neva Bešker, Andrew Emerson, Candida Manelfi, Andrea R. Beccari, Francesco Frigerio, Erik Lindahl, Carmen Cerchia, Carmine Talarico

    Published 2020-07-01
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  9. 9
    Impairment of Nucleolin Activity and Phosphorylation by a Trachylobane Diterpene from <i>Psiadia punctulata</i> in Cancer Cells

    Impairment of Nucleolin Activity and Phosphorylation by a Trachylobane Diterpene from <i>Psiadia punctulata</i> in Cancer Cells by Maria Laura Bellone, Lorenzo Fiengo, Carmen Cerchia, Roberta Cotugno, Ammar Bader, Antonio Lavecchia, Nunziatina De Tommasi, Fabrizio Dal Piaz

    Published 2022-09-01
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  10. 10
    Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein

    Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein by Stefano Borocci, Carmen Cerchia, Alessandro Grottesi, Nico Sanna, Ingrid Guarnetti Prandi, Nabil Abid, Andrea R. Beccari, Giovanni Chillemi, Carmine Talarico

    Published 2021-05-01
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  11. 11
    “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases

    “DompeKeys”: a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing... by Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari

    Published 2024-02-01
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  12. 12
    Binding Mode Exploration of B1 Receptor Antagonists’ by the Use of Molecular Dynamics and Docking Simulation—How Different Target Engagement Can Determine Different Biological Effects

    Binding Mode Exploration of B1 Receptor Antagonists’ by the Use of Molecular Dynamics and Docking Simulation—How Different Target Engagement Can Determine Different Biological Effe... by Marica Gemei, Carmine Talarico, Laura Brandolini, Candida Manelfi, Lorena Za, Silvia Bovolenta, Chiara Liberati, Luigi Del Vecchio, Roberto Russo, Carmen Cerchia, Marcello Allegretti, Andrea Rosario Beccari

    Published 2020-10-01
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