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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
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
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