1 to 10 of 15 Results
Nov 2, 2022 - PN 5-6
Praditia, Timothy; Karlbauer, Matthias; Otte, Sebastian; Oladyshkin, Sergey; Butz, Martin V.; Nowak, Wolfgang, 2022, "Replication Data for: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network", https://doi.org/10.18419/darus-3249, DaRUS, V1
This dataset contains diffusion-sorption data, generated with numerical simulation based on three different sorption isotherms, namely the linear, Freundlich, and Langmuir isotherms. This dataset is used to train, validate, and test all the deep learning models that are used in t... |
Oct 6, 2022 - demoa
Hammer, Maria; Riede, Julia Maria; Meszaros-Beller, Laura; Schmitt, Syn, 2022, "gspine: A Human Spine Model Built Using Literature Data", https://doi.org/10.18419/darus-2814, DaRUS, V3
A fully articulating human spine model parametrised using generic literature data for the geometry of the skeleton including attachment points for ligaments and muscles. The model is prepared to run muscle-driven simulation using a simple biological motor control model. The file... |
Aug 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Zimmermann, Nils Edvin Richard; Guevara-Carrion, Gabriela; Vrabec, Jadran; Hansen, Niels, 2022, "Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'", https://doi.org/10.18419/darus-2996, DaRUS, V2
Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Adv. Theory Simul., 2022) containing scripts, packages, and files to re-create and... |
Jun 20, 2022 - PN 4-7
Baier, Alexandra; Staab, Steffen, 2022, "A Simulated 4-DOF Ship Motion Dataset for System Identification under Environmental Disturbances", https://doi.org/10.18419/darus-2905, DaRUS, V1, UNF:6:Y083ZdO8GLwf/Iimyij+mQ== [fileUNF]
This dataset contains data of 125 1-hour simulations of ship motion during various sea states performing random maneuvers in 4 degrees of freedom (surge-sway-yaw-roll). The original ship is a patrol ship developed by Perez et al. [1]. We have extended it with a set of two symmetr... |
Fleck, Maximilian; Markthaler, Daniel; Stankiewicz, Bartosz; Hansen, Niels, 2022, "Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'", https://doi.org/10.18419/darus-2132, DaRUS, V1, UNF:6:8wyFNcxoOTcKA+4ZpSWLAg== [fileUNF]
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mention... |
Apr 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Kessler, Christopher; Schuldt, Robin; Emmerling, Sebastian; Lotsch, Bettina; Kästner, Johannes; Gross, Joachim; Hansen, Niels, 2022, "Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'", https://doi.org/10.18419/darus-2308, DaRUS, V1, UNF:6:ifmtNZEZHi+MkSvB5rd1dw== [fileUNF]
This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter notebook and for a fast overview without executing the notebook also as pdf-file. Furthermore the dataset... |
Mar 1, 2022 - Subarea A7
Potyka, Johanna; Kromer, Johannes, 2022, "Efficient three-material PLIC Implementation as Fortran Module", https://doi.org/10.18419/darus-2488, DaRUS, V1
The dataset provides a Fortran module with the code for the efficient three-phase positioning method. |
Feb 15, 2022 - EnzymeML at work
Pinto, Maria Filipa, 2022, "Catalysis of L-cysteine by IscS in the presence of IscU", https://doi.org/10.18419/darus-2483, DaRUS, V1
Measured was the reaction from cysteine to alanine by the Cysteine desulfurase, for six different initial concentrations of cysteine. The data consists of three data points over the course of 2.5 minutes for alanine. Additionally, the concentration of cysteine over time was calcu... |
Feb 15, 2022 - EnzymeML at work
Malzacher, Stephan, 2022, "Carboligation of Pyruvate catalysed by HcAHAS C Unit", https://doi.org/10.18419/darus-2470, DaRUS, V1
The data was measured in the course of a Bachelor thesis and filled into the EnzymeML Spreadsheet. Measured was the absorption for the reaction from pyruvate to acetolactate. The measurements were conducted for six different pH values (in the range from pH 5 to pH8). For each of... |
Feb 15, 2022 - EnzymeML at work
Høst, Amalie Vang, 2022, "Deactivation of Glucose Oxidase", https://doi.org/10.18419/darus-2469, DaRUS, V1
The data is unpublished and contains absorption data over time, together with the calculated initial rates. Reaction conditions and the experimental setup are described in the additional Method section. Measured was the deactivation of Glucose Oxidase over time. The enzyme activi... |
