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Advances in Computational Techniques to Study GPCR-Ligand Recognition.
Ciancetta A, Sabbadin D, Federico S, Spalluto G, Moro S. Ciancetta A, et al. Among authors: sabbadin d. Trends Pharmacol Sci. 2015 Dec;36(12):878-890. doi: 10.1016/j.tips.2015.08.006. Epub 2015 Nov 1. Trends Pharmacol Sci. 2015. PMID: 26538318 Free article. Review.
Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human a(3) adenosine receptor antagonists.
Federico S, Ciancetta A, Sabbadin D, Paoletta S, Pastorin G, Cacciari B, Klotz KN, Moro S, Spalluto G. Federico S, et al. Among authors: sabbadin d. J Med Chem. 2012 Nov 26;55(22):9654-68. doi: 10.1021/jm300899q. Epub 2012 Nov 9. J Med Chem. 2012. PMID: 23098605
Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information.
Paoletta S, Sabbadin D, von Kügelgen I, Hinz S, Katritch V, Hoffmann K, Abdelrahman A, Straßburger J, Baqi Y, Zhao Q, Stevens RC, Moro S, Müller CE, Jacobson KA. Paoletta S, et al. Among authors: sabbadin d. J Comput Aided Mol Des. 2015 Aug;29(8):737-56. doi: 10.1007/s10822-015-9858-z. Epub 2015 Jul 21. J Comput Aided Mol Des. 2015. PMID: 26194851 Free PMC article.
Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation.
El Khoury L, Jing Z, Cuzzolin A, Deplano A, Loco D, Sattarov B, Hédin F, Wendeborn S, Ho C, El Ahdab D, Jaffrelot Inizan T, Sturlese M, Sosic A, Volpiana M, Lugato A, Barone M, Gatto B, Macchia ML, Bellanda M, Battistutta R, Salata C, Kondratov I, Iminov R, Khairulin A, Mykhalonok Y, Pochepko A, Chashka-Ratushnyi V, Kos I, Moro S, Montes M, Ren P, Ponder JW, Lagardère L, Piquemal JP, Sabbadin D. El Khoury L, et al. Among authors: sabbadin d. Chem Sci. 2022 Feb 10;13(13):3674-3687. doi: 10.1039/d1sc05892d. eCollection 2022 Mar 30. Chem Sci. 2022. PMID: 35432906 Free PMC article.
26 results