Erlangen National High Performance Computing Center (NHR@FAU)

The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes (2024) Ruppelt D, Trollmann M, Dema T, Wirtz SN, Flegel H, Mönnikes S, Grond S, et al. Journal article An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package (2024) Bänsch F, Daniel M, Lanig H, Steinbeck C, Zielesny A Journal article Code Generation for Octree-Based Multigrid Solvers with Fused Higher-Order Interpolation and Communication (2024) Angersbach R, Köstler H, Kuckuk S Conference contribution, Conference Contribution CloverLeaf on Intel Multi-Core CPUs: A Case Study in Write-Allocate Evasion (2024) Laukemann J, Gruber T, Hager G, Oryspayev D, Wellein G Conference contribution, Conference Contribution Alya towards Exascale: Optimal OpenACC Performance of the Navier-Stokes Finite Element Assembly on GPUs (2024) Owen H, Ernst D, Gruber T, Lemkuhl O, Houzeaux G, Gasparino L, Wellein G Conference contribution, Conference Contribution Charge-order melting in the one-dimensional Edwards model (2024) Lange F, Wellein G, Fehske H Journal article, Letter In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2 (2024) Beierlein F, Horn A, Sticht H, Mokhir A, Imhof P Journal article A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin (2024) Klemt I, Reshetnikov V, Dutta S, Bila G, Bilyy R, Cuartero IC, Hidalgo A, et al. Journal article, Original article Characterization of domain formation in complex membranes (2024) Trollmann M, Böckmann R Book chapter / Article in edited volumes Nonuniversal impact of cholesterol on membranes mobility, curvature sensing and elasticity (2023) Pöhnl M, Trollmann M, Böckmann R Journal article