Erlangen National High Performance Computing Center (NHR@FAU)

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 Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics (2021) Trollmann M, Böckmann R Conference contribution Lipid nanodiscs as a tool to unlock membrane dynamics (2021) Pöhnl M, Böckmann R Conference contribution ALTO: Adaptive Linearized Storage of Sparse Tensors (2021) Helal AE, Laukemann J, Checconi F, Tithi JJ, Ranadive T, Petrini F, Choi J Conference contribution, Conference Contribution Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide (2021) Socher E, Conrad M, Heger L, Paulsen F, Sticht H, Zunke F, Arnold P Journal article Valley filtering in strain-induced α- T3 quantum dots (2021) Filusch A, Bishop AR, Saxena A, Wellein G, Fehske H Journal article