1 to 2 of 2 Results
Mar 20, 2020 - Molecular Simulation
Kraus, Hamzeh; Rybka, Julia, 2019, "Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'", https://doi.org/10.18419/darus-477, DaRUS, V2
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology and simulation parameter-files are provided for two simulations - an unmodified pore with a silanol surface and a modified pore with an unpolar DMDMS surface... |
Sep 30, 2019 - Bioinformatics
Bauer, Tabea, 2019, "The modular structure of alpha/beta-hydrolases: similarity of the N- and C-terminal domains to other proteins", https://doi.org/10.18419/darus-458, DaRUS, V1, UNF:6:pbQRgDXU4w7vnxyqxzzuRQ== [fileUNF]
To analyse the structural similarities of the N- and C-terminal domains, representative protein structures of each oxyanion hole type from the proteins of alpha/beta-hydrolase superfamilies 8 to 12 were selected from the Lipase Engineering Database (https://led.biocatnet.de/). Th... |