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Simone Albani
Simone Albani
Forschungszentrum Jülich
Protease
severe acute respiratory syndrome coronavirus 2
Virtual screening
Chemistry
Docking (dog)
4
Papers
15
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0
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A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics
2021
Jonas Gossen
Simone Albani
Anton Hanke
Benjamin P. Joseph
Cathrine Bergh
Maria Kuzikov
Elisa Costanzi
Candida Manelfi
Paola Storici
Philip Gribbon
Andrea R. Beccari
Carmine Talarico
Francesca Spyrakis
Erik Lindahl
A. Zaliani
Paolo Carloni
Rebecca C. Wade
Francesco Musiani
Daria B. Kokh
Giulia Rossetti
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Citations (12)
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease.
2021
Molecules
Candida Manelfi
Jonas Gossen
Silvia Gervasoni
Carmine Talarico
Simone Albani
Benjamin Joseph Philipp
Francesco Musiani
Giulio Vistoli
Giulia Rossetti
Andrea R. Beccari
Alessandro Pedretti
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Citations (3)
Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
2021
International Journal of Molecular Sciences
Elisa Costanzi
Maria Kuzikov
Francesca Esposito
Simone Albani
Nicola Demitri
Barbara Giabbai
Marianna Camasta
Enzo Tramontano
Giulia Rossetti
Andrea Zaliani
Paola Storici
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Simulation results for Sars-CoV2 3C-like main protease: TRAPP analysis of the binding site flexibility and results of the docking study
2020
Daria B. Kokh
Jonas Gossen
Simone Albani
Anton Hanke
Benjamin P. Joseph
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