BACKGROUND Leucine-rich repeats (LRRs) are present in more than 6000 proteins. They are found in organisms ranging from viruses to eukaryotes and play an important role in protein-ligand interactions. To date, more than one hundred crystal structures of LRR containing proteins have been determined. This knowledge has increased our ability to use the crystal… (More)
Toll-like receptors (TLRs) play a key role in the innate immune system. TLRs recognize pathogen-associated molecular patterns and initiate an intracellular kinase cascade to induce an immediate defensive response. During recent years TLRs have become the focus of tremendous research interest. A central repository for the growing amount of relevant TLR… (More)
R<sup>1</sup> is a domain specific language widely used for data analysis by the statistics community as well as by researchers in finance, biology, social sciences, and many other disciplines. As R programs are linked to input data, the exponential growth of available data makes high-performance computing with R imperative. To ease the process of writing… (More)
This scanning tunneling microscopy (STM) study uses a supramolecular two-dimensional architecture of trimesic acid molecules adsorbed on a graphite substrate as a host for the incorporation of C 60 as a molecular guest. By choosing a proper solvent, it was possible to verify that self-assembly of the host-guest structure can be accomplished at the liquid… (More)
We compare the self-assembly of the various isomers of benzene-dicarboxylic acids at the interface between solution and graphite substrate. In the case of planar benzene-dicarboxylic acids it was possible to observe long-range ordered monolayers by STM. However, no ordered adsorption was observed for the nonplanar 1,2-benzene-dicarboxylic acid. By means of… (More)
We report lessons learned during the friendly user block operation period of the new system at the Leibniz Supercomputing Centre (SuperMUC Phase 2).