Chemoenzymatic Total Synthesis of Deoxy‐, epi‐, and Podophyllotoxin and a Biocatalytic Kinetic Resolution of Dibenzylbutyrolactones M Lazzarotto, L Hammerer, M Hetmann, A Borg, L Schmermund, L Steiner, ... Angewandte Chemie International Edition 58 (24), 8226-8230, 2019 | 67 | 2019 |
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 V Durmaz, K Köchl, A Krassnigg, L Parigger, M Hetmann, A Singh, D Nutz, ... Scientific reports 12 (1), 14534, 2022 | 18 | 2022 |
Chemoenzymatische Totalsynthese von Deoxy‐, epi‐und Podophyllotoxin sowie biokatalytische kinetische Racematspaltung von Dibenzylbutyrolactonen M Lazzarotto, L Hammerer, M Hetmann, A Borg, L Schmermund, L Steiner, ... Angewandte Chemie 131 (24), 8310-8315, 2019 | 8 | 2019 |
The catalytic machinery of the FAD-dependent AtBBE-like protein 15 for alcohol oxidation: Y193 and Y479 form a catalytic base, Q438 and R292 an alkoxide binding site J Messenlehner, M Hetman, A Tripp, S Wallner, P Macheroux, K Gruber, ... Archives of Biochemistry and Biophysics 700, 108766, 2021 | 7 | 2021 |
Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX M Hetmann, C Langner, V Durmaz, M Cespugli, K Köchl, A Krassnigg, ... Scientific Reports 13 (1), 11783, 2023 | 5 | 2023 |
Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, K Köchl, ... Frontiers in Medicine 9, 1061142, 2022 | 4 | 2022 |
A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics 43 (1), e202300262, 2024 | 2 | 2024 |
A community effort to discover small molecule SARS-CoV-2 inhibitors J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... American Chemical Society (ACS), 2023 | | 2023 |
Changes in the mutational dynamics of the SARS-CoV-2 main-protease substantiate the danger of emerging resistance to antiviral drugs. L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, K Köchl, ... | | 2022 |
Recent changes in the mutational dynamics of the SARS-CoV-2 main-protease substantiate the danger of emerging resistance to antiviral drugs. C Gruber, L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, ... | | 2022 |