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2018 2
2020 4
2021 4
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Page 1
Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations.
Grottesi A, Bešker N, Emerson A, Manelfi C, Beccari AR, Frigerio F, Lindahl E, Cerchia C, Talarico C. Grottesi A, et al. Among authors: manelfi c. Int J Mol Sci. 2020 Jul 28;21(15):5346. doi: 10.3390/ijms21155346. Int J Mol Sci. 2020. PMID: 32731361 Free PMC article.
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.
Gervasoni S, Vistoli G, Talarico C, Manelfi C, Beccari AR, Studer G, Tauriello G, Waterhouse AM, Schwede T, Pedretti A. Gervasoni S, et al. Among authors: manelfi c. Int J Mol Sci. 2020 Jul 21;21(14):5152. doi: 10.3390/ijms21145152. Int J Mol Sci. 2020. PMID: 32708196 Free PMC article.
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.
Gemei M, Talarico C, Brandolini L, Manelfi C, Za L, Bovolenta S, Liberati C, Vecchio LD, Russo R, Cerchia C, Allegretti M, Beccari AR. Gemei M, et al. Among authors: manelfi c. Int J Mol Sci. 2020 Oct 16;21(20):7677. doi: 10.3390/ijms21207677. Int J Mol Sci. 2020. PMID: 33081372 Free PMC article.
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics.
Gossen J, Albani S, Hanke A, Joseph BP, Bergh C, Kuzikov M, Costanzi E, Manelfi C, Storici P, Gribbon P, Beccari AR, Talarico C, Spyrakis F, Lindahl E, Zaliani A, Carloni P, Wade RC, Musiani F, Kokh DB, Rossetti G. Gossen J, et al. Among authors: manelfi c. ACS Pharmacol Transl Sci. 2021 Mar 16;4(3):1079-1095. doi: 10.1021/acsptsci.0c00215. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 34136757 Free PMC article.