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Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, Huang CY, Meier N, Steuber J, Wang M, Fritz G, Wojdyla JA, Sharpe ME. Kaminski JW, et al. Acta Crystallogr D Struct Biol. 2022 Mar 1;78(Pt 3):328-336. doi: 10.1107/S2059798322000705. Epub 2022 Feb 21. Acta Crystallogr D Struct Biol. 2022. PMID: 35234147 Free PMC article.
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Huang CY, Metz A, Lange R, Artico N, Potot C, Hazemann J, Müller M, Dos Santos M, Chambovey A, Ritz D, Eris D, Meyer S, Bourquin G, Sharpe M, Mac Sweeney A. Huang CY, et al. Acta Crystallogr D Struct Biol. 2024 Feb 1;80(Pt 2):123-136. doi: 10.1107/S2059798324000329. Epub 2024 Jan 30. Acta Crystallogr D Struct Biol. 2024. PMID: 38289714 Free PMC article.