1 to 10 of 33 Results
May 18, 2022 - Biophysics Group
Wang, Shuo; Findeisen, Lukas; Leptihn, Sebastian; Wallace, Mark Ian; Hörning, Marcel; Nussberger, Stephan, 2022, "Data for: Correlation of mitochondrial TOM core complex stop-and-go and open-closed channel dynamics", https://doi.org/10.18419/darus-2158, DaRUS, V1, UNF:6:9dvSdn6uEaqFUk/rRvtwoA== [fileUNF]
The role of lateral diffusion of proteins in the membrane in the context of function has not been examined extensively. The data set addresses the relationship between protein lateral diffusion and channel activity of the general protein import pore of mitochondria (TOM-CC). Opti... |
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... |
Markthaler, Daniel; Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'", https://doi.org/10.18419/darus-2109, DaRUS, V1
Binding affinities of seven drug molecules (G1-G7) towards a common receptor (cucurbit[8]uril, CB8) were estimated from molecular dynamics (MD) simulations in the scope of the recent SAMPL8 CB8 "Drugs of Abuse" challenge using the GROMACS MD package. To compare with experimental... |
Nov 25, 2021 - Molecular Simulation
Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1
This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub... |
Nov 15, 2021 - 3rd Physics Institute
Sardi, Fiammetta, 2021, "Replication Data for: Scalable production of solid-immersion lenses for quantum emitters in silicon carbide", https://doi.org/10.18419/darus-2083, DaRUS, V1, UNF:6:WT2hLsr015Q+Y9l/lrLoDA== [fileUNF]
Data to replicate the experimental data plots in the paper: Fig. 1d, e: AFM scans of SIL before the etching and after the etching, possibility to see how the mask changed in the etching process; Fig. 2a, b, c: Confoscal scan of the all SIL, g2 measurements of one defect inside th... |
Homes, Simon; Heinen, Matthias; Vrabec, Jadran; Fischer, Johann, 2021, "Data for: Evaporation driven by conductive heat transport", https://doi.org/10.18419/darus-2230, DaRUS, V1
The present data is a digest of the simulations conducted in the scope of the related publication. The phenomena of stationary evaporation of the Lennard-Jones-truncated-shifted fluid was studied using large scale Molecular Dynamics (MD) simulations. The domain of the conducted s... |
Oct 22, 2021 - Flying Laptop
Boettcher, Maximilian; Gaisser, Steffen; Klinkner, Sabine, 2021, "Radio Noise Measurement Flying Laptop (2018-2021)", https://doi.org/10.18419/darus-1245, DaRUS, V2, UNF:6:MADgmXySkLxA+TEjrXWr0Q== [fileUNF]
S-Band Signal Automatic Gain Control (SAGC) measurements of TC receiver with timestamp and position data (based on TLE propagation) of Flying Laptop. The timestamps are available as UTC in milliseconds (Unix epoch) or as local time (if available). The SAGC values corresponds to t... |
Sep 16, 2021 - 3rd Physics Institute
Kaiser, Florian, 2021, "Replication Data for: Nanofabricated and integrated colour centres in silicon carbide with high-coherence spin-optical properties", https://doi.org/10.18419/darus-2107, DaRUS, V1, UNF:6:kKKhF3wNW92MLzgUUL83Bw== [fileUNF]
CSV data sets to reproduce all plots in the paper and the Supplementary Information. |
Aug 24, 2021 - ITP1 - Wunner Group
Schimeczek, Christoph, 2021, "Hydrogen Database", https://doi.org/10.18419/darus-2118, DaRUS, V1
Hydrogen Database This dataset contains energies of hydrogen states as well as transition energies and dipole strengths in dependence of the magnetic field strength given in β, where β = B / B0 with the reference magnetic field strength B0 = 4.70103×105 T. The energies are given... |
