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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.; Kochl, K.; Krassnigg, A.; Blaschitz, K.; Groiss, S.; Loibner, M.; Ruau, D.; Zatloukal, K.; Gruber, K.; Steinkellner, G.; Gruber, C. C. 分享 收藏
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Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations Koechl, Katharina; Schopper, Tobias; Durmaz, Vedat; Parigger, Lena; Singh, Amit; Krassnigg, Andreas; Cespugli, Marco; Wu, Wei; Yang, Xiaoli; Zhang, Yanchong; Wang, Welson Wen-Shang; Selluski, Crystal; Zhao, Tiehan; Zhang, Xin; Bai, Caihong; Lin, Leon; Hu, Yuxiang; Xie, Zhiwei; Zhang, Zaihui; Yan, Jun; Zatloukal, Kurt; Gruber, Karl; Steinkellner, Georg; Gruber, Christian C. 分享 收藏
Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs SARS-CoV-2主要蛋白酶的突变动力学的最新变化证实了对抗病毒药物产生抗药性的危险 Parigger, Lena; Krassnigg, Andreas; Schopper, Tobias; Singh, Amit; Tappler, Katharina; Koechl, Katharina; Hetmann, Michael; Gruber, Karl; Steinkellner, Georg; Gruber, Christian C. 分享 收藏
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, Vedat; Koechl, Katharina; Krassnigg, Andreas; Parigger, Lena; Hetmann, Michael; Singh, Amit; Nutz, Daniel; Korsunsky, Alexander; Kahler, Ursula; Koenig, Centina; Chang, Lee; Krebs, Marius; Bassetto, Riccardo; Pavkov-Keller, Tea; Resch, Verena; Gruber, Karl; Steinkellner, Georg; Gruber, Christian C. 分享 收藏
Racemization-free and scalable amidation of l-proline in organic media using ammonia and a biocatalyst only Pitzer, Julia; Steiner, Kerstin; Schmid, Christian; Schein, Viktor K.; Prause, Christoph; Kniely, Claudia; Reif, Michaela; Geier, Martina; Pietrich, Elena; Reiter, Tamara; Selig, Philipp; Stuckler, Clemens; Pochlauer, Peter; Steinkellner, Georg; Gruber, Karl; Schwab, Helmut; Glieder, Anton; Kroutil, Wolfgang 分享 收藏
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The sustainable synthesis of levetiracetam by an enzymatic dynamic kinetic resolution and an ex-cell anodic oxidation Arndt, Sebastian; Grill, Birgit; Schwab, Helmut; Steinkellner, Georg; Pogorevcnik, Urska; Weis, Dominik; Nauth, Alexander M.; Gruber, Karl; Opatz, Till; Donsbach, Kai; Waldvogel, Siegfried R.; Winkler, Margit 分享 收藏
Controlling the Regioselectivity of Fatty Acid Hydroxylation (C10) at α- and β-Position by CYP152A1 (P450Bsβ) Variants Hammerer, Lucas; Friess, Michael; Cerne, Jeyson; Fuchs, Michael; Steinkellner, Georg; Gruber, Karl; Vanhessche, Koenraad; Plocek, Thomas; Winkler, Christoph K.; Kroutil, Wolfgang 分享 收藏
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Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase Payer, Stefan E.; Marshall, Stephen A.; Baerland, Natalie; Sheng, Xiang; Reiter, Tamara; Dordic, Andela; Steinkellner, Georg; Wuensch, Christiane; Kaltwasser, Susann; Fisher, Karl; Rigby, Stephen E. J.; Macheroux, Peter; Vonck, Janet; Gruber, Karl; Faber, Kurt; Himo, Fahmi; Leys, David; Pavkov-Keller, Tea; Glueck, Silvia M. 分享 收藏
Small Cause, Large Effect: Structural Characterization of Cutinases From Thermobifida cellulosilytica Ribitsch, Doris; Hromic, Altijana; Zitzenbacher, Sabine; Zartl, Barbara; Gamerith, Caroline; Pellis, Alessandro; Jungbauer, Alois; Lyskowski, Andrzej; Steinkellner, Georg; Gruber, Karl; Tscheliessnig, Rupert; Acero, Enrique Herrero; Guebitz, Georg M. 分享 收藏
Exploring the Catalytic Promiscuity of Phenolic Acid Decarboxylases: Asymmetric, 1,6-Conjugate Addition of Nucleophiles Across 4-Hydroxystyrene Payer, Stefan E.; Sheng, Xiang; Pollak, Hannah; Wuensch, Christiane; Steinkellner, Georg; Himo, Fahmi; Glueck, Silvia M.; Faber, Kurt 分享 收藏
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