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A community effort in SARS-CoV-2 drug discovery.
Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14.
Mol Inform. 2024.
PMID: 37833243
Free article.
Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX.
Hetmann M, Langner C, Durmaz V, Cespugli M, Köchl K, Krassnigg A, Blaschitz K, Groiss S, Loibner M, Ruau D, Zatloukal K, Gruber K, Steinkellner G, Gruber CC.
Hetmann M, et al.
Sci Rep. 2023 Jul 21;13(1):11783. doi: 10.1038/s41598-023-39071-z.
Sci Rep. 2023.
PMID: 37479788
Free PMC article.
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Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs.
Parigger L, Krassnigg A, Schopper T, Singh A, Tappler K, Köchl K, Hetmann M, Gruber K, Steinkellner G, Gruber CC.
Parigger L, et al. Among authors: hetmann m.
Front Med (Lausanne). 2022 Dec 14;9:1061142. doi: 10.3389/fmed.2022.1061142. eCollection 2022.
Front Med (Lausanne). 2022.
PMID: 36590977
Free PMC article.
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Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference.
Durmaz V, Köchl K, Krassnigg A, Parigger L, Hetmann M, Singh A, Nutz D, Korsunsky A, Kahler U, König C, Chang L, Krebs M, Bassetto R, Pavkov-Keller T, Resch V, Gruber K, Steinkellner G, Gruber CC.
Durmaz V, et al. Among authors: hetmann m.
Sci Rep. 2022 Aug 25;12(1):14534. doi: 10.1038/s41598-022-18507-y.
Sci Rep. 2022.
PMID: 36008461
Free PMC article.
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Chemoenzymatic Total Synthesis of Deoxy-, epi-, and Podophyllotoxin and a Biocatalytic Kinetic Resolution of Dibenzylbutyrolactones.
Lazzarotto M, Hammerer L, Hetmann M, Borg A, Schmermund L, Steiner L, Hartmann P, Belaj F, Kroutil W, Gruber K, Fuchs M.
Lazzarotto M, et al. Among authors: hetmann m.
Angew Chem Int Ed Engl. 2019 Jun 11;58(24):8226-8230. doi: 10.1002/anie.201900926. Epub 2019 May 8.
Angew Chem Int Ed Engl. 2019.
PMID: 30920120
Free PMC article.
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