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A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann… See abstract for full author list ➔ Schimunek J, et al. Among authors: talarico c. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243 Free PMC article.
Pathway involving the N155H mutation in HIV-1 integrase leads to dolutegravir resistance.
Malet I, Ambrosio FA, Subra F, Herrmann B, Leh H, Bouger MC, Artese A, Katlama C, Talarico C, Romeo I, Alcaro S, Costa G, Deprez E, Calvez V, Marcelin AG, Delelis O. Malet I, et al. Among authors: talarico c. J Antimicrob Chemother. 2018 May 1;73(5):1158-1166. doi: 10.1093/jac/dkx529. J Antimicrob Chemother. 2018. PMID: 29373677
Real-life 3D therapy failure: Analysis of NS5A 93H RAS plus 108 K polymorphism in complex with ombitasvir by molecular modeling.
Marascio N, Pavia G, Romeo I, Talarico C, Di Salvo S, Reale M, Marano V, Barreca GS, Fabiani F, Perrotti N, De Siena M, Giancotti F, Gravina T, Alcaro S, Artese A, Torti C, Liberto MC, Focà A. Marascio N, et al. Among authors: talarico c. J Med Virol. 2018 Jul;90(7):1257-1263. doi: 10.1002/jmv.25073. Epub 2018 Mar 31. J Med Virol. 2018. PMID: 29575060
Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques.
Costa G, Rocca R, Corona A, Grandi N, Moraca F, Romeo I, Talarico C, Gagliardi MG, Ambrosio FA, Ortuso F, Alcaro S, Distinto S, Maccioni E, Tramontano E, Artese A. Costa G, et al. Among authors: talarico c. Eur J Med Chem. 2019 Jan 1;161:1-10. doi: 10.1016/j.ejmech.2018.10.029. Epub 2018 Oct 13. Eur J Med Chem. 2019. PMID: 30342421
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: talarico 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.
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: talarico 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.
153 results