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1 to 10 of 13 Results
Supplementary Material for 'Entropic barrier of water permeation through single-file channels'
Jun 30, 2023 - PN 3-11
Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/darus-3390, DaRUS, V1
Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in h...
Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios
Jan 17, 2023 - PN 7-6
Rodegast, Philipp; Maier, Steffen; Kneifl, Jonas; Fehr, Jörg, 2023, "Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios", https://doi.org/10.18419/darus-3301, DaRUS, V1, UNF:6:rnJlYpzgwi2nYAtNG7jBtA== [fileUNF]
This dataset provides time-dependent simulation results from high-fidelity motorcycle body crash scenarios. The set contains the angular as well as linear positions, velocities, and accelerations of different parts of the motorcycle. In addition, force and contact sensor signals...
Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers
Dec 15, 2023 - PN 2-3B
Santana Chacon, Pablo Filipe; Hammer, Maria; Wochner, Isabell; Walter, Johannes R.; Schmitt, Syn, 2023, "Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers", https://doi.org/10.18419/darus-3796, DaRUS, V1
This code/data allows you reproduce the results of the paper: "A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers" by P. F. S. Chacon, M. Hammer, I. Wochner, J. R. Walter and S. Schmitt. Always cite the...
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials
Feb 20, 2023 - PN 6
Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1
Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint...
PN 3-11(Universität Stuttgart)
Feb 28, 2023PN 3
Biological Molecular Dynamics Simulations
PN 2-3B(Universität Stuttgart)
Nov 9, 2023PN 2
Open-Source structurally physiological Hill-type model of the muscle spindle for forward-dynamic simulations in biophysics and biomechanics.
Membranes(Universität Stuttgart)
Jun 7, 2023PN 1-8
Dataverse containig material on lipid membranes and surfaces interactions
Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."
Jul 18, 2023 - BLinK
Schlaich, Alexander, 2023, "Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."", https://doi.org/10.18419/darus-2360, DaRUS, V1
Simulation input scripts to produce the data presented in the manuscript "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants." All simulations were carried out using the GROMACS simulation package. The folders contain...
Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
May 12, 2023 - Materials Design
Forslund, Axel; Jung, Jong Hyun; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals", https://doi.org/10.18419/darus-3339, DaRUS, V1
Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). This data set contains - the training sets (VAS...
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems
May 26, 2023 - Materials Design
Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...
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