Hasil Pencarian - Candida Manelfi

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  1. 1
    Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel

    Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel oleh Silvia Gervasoni, Carmine Talarico, Candida Manelfi, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari

    Diterbitkan 2022-07-01
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  2. 2
    Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel

    Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel oleh Carmine Talarico, Silvia Gervasoni, Candida Manelfi, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari

    Diterbitkan 2020-03-01
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  3. 3
    Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations

    Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations oleh Serena Vittorio, Candida Manelfi, Silvia Gervasoni, Andrea R. Beccari, Alessandro Pedretti, Giulio Vistoli, Carmine Talarico

    Diterbitkan 2022-09-01
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  4. 4
    “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool

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

    Diterbitkan 2021-07-01
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  5. 5
    Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative

    Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative oleh Silvia Gervasoni, Candida Manelfi, Sara Adobati, Carmine Talarico, Akash Deep Biswas, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari

    Diterbitkan 2023-12-01
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  6. 6
    Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations

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

    Diterbitkan 2020-07-01
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  7. 7
    “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... oleh Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari

    Diterbitkan 2024-02-01
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  8. 8
    A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0

    A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0 oleh Silvia Gervasoni, Giulio Vistoli, Carmine Talarico, Candida Manelfi, Andrea R. Beccari, Gabriel Studer, Gerardo Tauriello, Andrew Mark Waterhouse, Torsten Schwede, Alessandro Pedretti

    Diterbitkan 2020-07-01
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  9. 9
    Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

    Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease oleh Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani, Benjamin Joseph Philipp, Francesco Musiani, Giulio Vistoli, Giulia Rossetti, Andrea Rosario Beccari, Alessandro Pedretti

    Diterbitkan 2021-02-01
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  10. 10
    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... oleh 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

    Diterbitkan 2020-10-01
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  11. 11
    Drug repurposing screen to identify inhibitors of the RNA polymerase (nsp12) and helicase (nsp13) from SARS-CoV-2 replication and transcription complex

    Drug repurposing screen to identify inhibitors of the RNA polymerase (nsp12) and helicase (nsp13) from SARS-CoV-2 replication and transcription complex oleh Maria Kuzikov, Jeanette Reinshagen, Krzysztof Wycisk, Angela Corona, Francesca Esposito, Paolo Malune, Candida Manelfi, Daniela Iaconis, Andrea Beccari, Enzo Tramontano, Marcin Nowotny, Björn Windshügel, Philip Gribbon, Andrea Zaliani

    Diterbitkan 2024-05-01
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  12. 12
    DHFR Inhibitors Display a Pleiotropic Anti-Viral Activity against SARS-CoV-2: Insights into the Mechanisms of Action

    DHFR Inhibitors Display a Pleiotropic Anti-Viral Activity against SARS-CoV-2: Insights into the Mechanisms of Action oleh Daniela Iaconis, Francesca Caccuri, Candida Manelfi, Carmine Talarico, Antonella Bugatti, Federica Filippini, Alberto Zani, Rubina Novelli, Maria Kuzikov, Bernhard Ellinger, Philip Gribbon, Kristoffer Riecken, Francesca Esposito, Angela Corona, Enzo Tramontano, Andrea Rosario Beccari, Arnaldo Caruso, Marcello Allegretti

    Diterbitkan 2023-05-01
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  13. 13
    Characterization of raloxifene as a potential pharmacological agent against SARS-CoV-2 and its variants

    Characterization of raloxifene as a potential pharmacological agent against SARS-CoV-2 and its variants oleh Daniela Iaconis, Licia Bordi, Giulia Matusali, Carmine Talarico, Candida Manelfi, Maria Candida Cesta, Mara Zippoli, Francesca Caccuri, Antonella Bugatti, Alberto Zani, Federica Filippini, Laura Scorzolini, Marco Gobbi, Marten Beeg, Arianna Piotti, Monica Montopoli, Veronica Cocetta, Silvia Bressan, Enrico M. Bucci, Arnaldo Caruso, Emanuele Nicastri, Marcello Allegretti, Andrea R. Beccari

    Diterbitkan 2022-05-01
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  14. 14
    Paclitaxel binds and activates C5aR1: A new potential therapeutic target for the prevention of chemotherapy-induced peripheral neuropathy and hypersensitivity reactions

    Paclitaxel binds and activates C5aR1: A new potential therapeutic target for the prevention of chemotherapy-induced peripheral neuropathy and hypersensitivity reactions oleh Laura Brandolini, Michele d’Angelo, Rubina Novelli, Vanessa Castelli, Cristina Giorgio, Anna Sirico, Pasquale Cocchiaro, Francesco D’Egidio, Elisabetta Benedetti, Claudia Cristiano, Antonella Bugatti, Anna Ruocco, Pier Giorgio Amendola, Carmine Talarico, Candida Manelfi, Daniela Iaconis, Andrea Beccari, Andreza U. Quadros, Thiago M. Cunha, Arnaldo Caruso, Roberto Russo, Annamaria Cimini, Andrea Aramini, Marcello Allegretti

    Diterbitkan 2022-05-01
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  15. 15
    Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort

    Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort oleh Andrea Zaliani, Laura Vangeel, Jeanette Reinshagen, Daniela Iaconis, Maria Kuzikov, Oliver Keminer, Markus Wolf, Bernhard Ellinger, Francesca Esposito, Angela Corona, Enzo Tramontano, Candida Manelfi, Katja Herzog, Dirk Jochmans, Steven De Jonghe, Winston Chiu, Thibault Francken, Joost Schepers, Caroline Collard, Kayvan Abbasi, Carsten Claussen, Vincenzo Summa, Andrea R. Beccari, Johan Neyts, Philip Gribbon, Pieter Leyssen

    Diterbitkan 2022-07-01
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