1 to 10 of 26 Results
May 23, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim, 2024, "Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols", https://doi.org/10.18419/darus-3824, DaRUS, V1
Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for 1,2-ethanediol and 1,3-propanediol. The dataset includes input files and results for the OCCO and OCCC torsi... |
Apr 11, 2024 - Institute for Stochastics and Applications
Höpfl, Sebastian, 2024, "Modeling the sphingolipid rheostat under wild-type and hypomorph Hai1a", https://doi.org/10.18419/darus-3838, DaRUS, V1, UNF:6:az4wbAbWWcIbbLxQh/QPXA== [fileUNF]
This dataset contains the proposed sphingolipid rheostat model with mass-action kinetics and a proposed negative feedback from ceramide to its synthesis from Sphinganine. The model is written in the Systems Biology Markup Language (SBML) and with the experimental data, experiment... |
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/darus-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulati... |
Mar 25, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Stierle, Rolf; Schlaich, Alexander; Rehner, Philipp; Gross, Joachim, 2024, "Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling", https://doi.org/10.18419/darus-3769, DaRUS, V1
This data set contains data of three categories: 1) LAMMPS input files (.lammps), postprocessing python script (.py) and density and velocity profiles (.dat) from NEMD. 2) DFT three-dimensional density profiles (.npy) for all systems. 3) Jupyter notebooks (.ipynb) for the calcula... |
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr... |
Feb 22, 2024 - A02: Advanced modelling concepts for coupling free flow with porous-media flow
Gläser, Dennis, 2024, "Results for Stokes-Darcy mortar method", https://doi.org/10.18419/darus-3599, DaRUS, V1
This dataset contains the results of the examples shown in the publication #TODO: add doi once accepted#. The first one investigates the orders of convergence with respect to the mesh size for different element types, as well as the efficiency of the interface preconditioner. The... |
Feb 16, 2024 - C-X5
Kiemle, Stefanie; Schneider, Jana; Heck, Katharina, 2024, "Replication data for analyzing stable water isotopologue transport within soils using fractionation parameterizations", https://doi.org/10.18419/darus-3572, DaRUS, V1
Replication data to reproduce the results presented in J. Schneider & S. Kiemle, K. Heck, Y. Rothfuss, I. Braud, R. Helmig, J. Vanderborght (2024) Analysis of Experimental and Simulation Data of Evaporation-Driven Isotopic Fractionation in Unsaturated Porous Media. (Under review)... |
Jan 23, 2024 - SynDAB
Müller, Manuel; Hagmanns, Raphael; Petereit, Janko; Egloffstein, Thomas; Weyrich, Lucas; Ebert, Christof; Weyrich, Michael, 2024, "SynDAB Dataset", https://doi.org/10.18419/darus-3758, DaRUS, V1
The dataset comprises a collection of images captured from the perspective of an excavator. The images depict a landfill with various environmental contexts. Specifically, various type of barrels are contained. Moreover, the dataset contains the simulated LiDAR data of these scen... |
Dec 4, 2023 - Institute for Modelling and Simulation of Biomechanical Systems
Schmid, Laura; Klotz, Thomas; Röhrle, Oliver; Powers, Randall K.; Negro, Francesco; Yavuz, Utku S., 2023, "Replication Data for “Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study”", https://doi.org/10.18419/darus-3686, DaRUS, V1
This dataset contains spiketrains from experimental as well as simulated motoneurons that were analysed for the publication Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study. Abstract: Postinhibitory exc... |
Nov 9, 2023 - PN 1-2B
Potyka, Johanna; Schulte, Kathrin, 2023, "Setups for and Outcomes of Immiscible Liquid Droplet Collision Simulations", https://doi.org/10.18419/darus-3557, DaRUS, V3, UNF:6:qeJBCuC11BIa6WGzldHxhw== [fileUNF]
Tabulated data of the setups and outcomes of the immiscible liquid and single liquid droplet collisions for the publication Johanna Potyka, Kathrin Schulte: A volume of fluid method for three dimensional direct numerical simulations of immiscible droplet collisions, International... |