Erlangen National High Performance Computing Center (NHR@FAU)

Automatic Generation of Load-Balancing-Aware Block-Structured Grids for Complex Ocean Domains. (2022) Zint D, Grosso R, Aizinger V, Faghih-Naini S, Kuckuk S, Köstler H Conference contribution mRNA lipid nanoparticle phase transition (2022) Trollmann M, Böckmann R Journal article Identifying structural features for changing substrate preferences in two Plantago PRISEs (pro-gesterone 5 beta-reductase and / or iridoid synthase) (2021) Dorfner M, Klein J, Lanig H, Kreis W, Munkert J Conference contribution In silico, in vitro, and structural investigations on BAHD-enzymes from different species able to malonylate 21-hydroxypregnanes (2021) Tropper M, Wolf LS, Lanig H, Kreis W Conference contribution N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide y Y4Receptor Ligands Results in Picomolar Binding Constants (2021) Konieczny A, Conrad M, Ertl FJ, Gleixner J, Gattor AO, Grätz L, Schmidt MF, et al. Journal article, Original article Opening the Black Box: Performance Estimation during Code Generation for GPUs (2021) Ernst D, Hager G, Holzer M, Knorr M, Wellein G Conference contribution, Conference Contribution Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms (2021) Volkenandt S, Beierlein F, Imhof P Journal article Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation (2021) Socher E, Conrad M, Heger L, Paulsen F, Sticht H, Zunke F, Arnold P Journal article, Original article EvoStencils: a grammar-based genetic programming approach for constructing efficient geometric multigrid methods (2021) Schmitt J, Kuckuk S, Köstler H Journal article, Original article Specific engineered G protein coupling to histamine receptors revealed from cellular assay experiments and accelerated molecular dynamics simulations (2021) Höring C, Conrad M, Söldner C, Wang J, Sticht H, Strasser A, Miao Y Journal article, Original article