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International Journal of Molecular Sciences|July 26, 2020
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 2.0Silvia Gervasoni, Giulio Vistoli, Carmine Talarico, et al.Molecules (Basel, Switzerland)|February 9, 2021
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL ProteaseCandida Manelfi, Jonas Gossen, Silvia Gervasoni, et al.ACS Infectious Diseases|September 26, 2025
Dual-Site Inhibition of SARS-CoV-2 RNA-Dependent RNA Polymerase by Small Molecules Able to Block Viral Replication Identified through a Computer-Aided Drug Discovery ApproachPaolo Malune, Daniela Iaconis, Candida Manelfi, et al.International Journal of Molecular Sciences|October 21, 2020
Binding Mode Exploration of B1 Receptor Antagonists' by the Use of Molecular Dynamics and Docking Simulation-How Different Target Engagement Can Determine Different Biological EffectsMarica Gemei, Carmine Talarico, Laura Brandolini, et al.Virus Research|March 15, 2024
Drug repurposing screen to identify inhibitors of the RNA polymerase (nsp12) and helicase (nsp13) from SARS-CoV-2 replication and transcription complexMaria Kuzikov, Jeanette Reinshagen, Krzysztof Wycisk, et al.ACS Pharmacology & Translational Science|April 18, 2022
Natural Compounds Inhibit SARS-CoV-2 nsp13 Unwinding and ATPase Enzyme ActivitiesAngela Corona, Krzysztof Wycisk, Carmine Talarico, et al.Antiviral Research|August 10, 2023
Diketo acid inhibitors of nsp13 of SARS-CoV-2 block viral replicationAngela Corona, Valentina Noemi Madia, Riccardo De Santis, et al.Viruses|May 27, 2023
DHFR Inhibitors Display a Pleiotropic Anti-Viral Activity against SARS-CoV-2: Insights into the Mechanisms of ActionDaniela Iaconis, Francesca Caccuri, Candida Manelfi, et al.ACS Pharmacology & Translational Science|June 17, 2021
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein DynamicsJonas Gossen, Simone Albani, Anton Hanke, et al.ACS Pharmacology & Translational Science|January 16, 2025
Thiol-Reactive or Redox-Active: Revising a Repurposing Screen Led to a New Invalidation Pipeline and Identified a True Noncovalent Inhibitor Against Papain-like Protease from SARS-CoV-2Maria Kuzikov, Stefano Morasso, Jeanette Reinshagen, et al.Pageof 3