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NAR Genomics and Bioinformatics|December 2, 2022
Investigating RNA-protein recognition mechanisms through supervised molecular dynamics (SuMD) simulationsMatteo Pavan, Davide Bassani, Mattia Sturlese, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|June 13, 2022
From the Wuhan-Hu-1 strain to the XD and XE variants: is targeting the SARS-CoV-2 spike protein still a pharmaceutically relevant option against COVID-19?Matteo Pavan, Davide Bassani, Mattia Sturlese, et al.Pharmaceuticals (Basel, Switzerland)|March 26, 2022
Sodium or Not Sodium: Should Its Presence Affect the Accuracy of Pose Prediction in Docking GPCR Antagonists?Davide Bassani, Matteo Pavan, Mattia Sturlese, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|April 14, 2022
Bat coronaviruses related to SARS-CoV-2: what about their 3CL proteases (MPro)?Matteo Pavan, Davide Bassani, Mattia Sturlese, et al.Biomedicines|February 25, 2022
Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism?Giovanni Bolcato, Matteo Pavan, Davide Bassani, et al.Pharmaceuticals (Basel, Switzerland)|February 26, 2022
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease MproDavide Bassani, Matteo Pavan, Giovanni Bolcato, et al.Frontiers in Molecular Biosciences|July 25, 2022
Implementing a Scoring Function Based on Interaction Fingerprint for Autogrow4: Protein Kinase CK1δ as a Case StudyMatteo Pavan, Silvia Menin, Davide Bassani, et al.Journal of Chemical Information and Modeling|October 31, 2022
Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics SimulationsMatteo Pavan, Silvia Menin, Davide Bassani, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|July 22, 2021
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332Matteo Pavan, Giovanni Bolcato, Davide Bassani, et al.Current Medicinal Chemistry|February 9, 2022
Computational Strategies to Identify New Drug Candidates against NeuroinflammationMatteo Pavan, Davide Bassani, Giovanni Bolcato, et al.Pageof 34