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11 to 20 of 23 Results
Photomanipulation of minimal synthetic cells: area increase, softening and interleaflet coupling of membrane models doped with azobenzene-lipid photoswitches
Photomanipulation of minimal synthetic cells: area increase, softening and interleaflet coupling of membrane models doped with azobenzene-lipid photoswitches
Aug 25, 2023
Dimova, Rumiana, 2023, "Photomanipulation of minimal synthetic cells: area increase, softening and interleaflet coupling of membrane models doped with azobenzene-lipid photoswitches", https://doi.org/10.17617/3.CWOZQO, Edmond, V1
Supporting data (simulation files, movies) for Aleksanyan et al. (2023) Advanced Science
Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"
Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"
Aug 24, 2023
Matera, Sebastian, 2023, "Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"", https://doi.org/10.17617/3.EPRBFA, Edmond, V1
A complementary simple toy problem and sample code and datasets of 1p-kMC simulation results used for the manuscript. For details see the README.me file
Data S1-3 from the manuscript Optimal control pulses for the 1.2 GHz (28.2 T) NMR spectrometers
Aug 14, 2023
Joseph, David; Prof. Dr. Christian Griesinger, 2023, "Data S1-3 from the manuscript Optimal control pulses for the 1.2 GHz (28.2 T) NMR spectrometers", https://doi.org/10.17617/3.LCUAOR, Edmond, V1
Pulsed Electrolysis: Explained
Jun 30, 2023
Miličić, Tamara; Sivasankaran, Monisha; Blümner,Christoph; Sorrentino, Antonio; Vidaković-Koch, Tanja, 2023, "Pulsed Electrolysis: Explained", https://doi.org/10.17617/3.CCHCNR, Edmond, V1
All the data related to the publication can be found in the dataset including simulation data and experimental data. Each data file is named corresponding to the original figure from the journal publication. Additionally, the figures in the publication are also available as .tiff...
DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules
Jun 27, 2023
Lai, King Chun; Matera, Sebastian; Scheurer, Christoph; Reuter, Karsten, 2023, "DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules", https://doi.org/10.17617/3.U7VKBM, Edmond, V1
This data set contains implementation code and examples for the methodology described in the research article with the title "A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules". The article is accepted by The Journal of Chemical Phys...
Simulation trajectories for "Acrylic Paints: An Atomistic View of the Polymer Structure and Effects of Environmental Pollutants"
May 12, 2023
Iscen Akatay, Aysenur, 2023, "Simulation trajectories for "Acrylic Paints: An Atomistic View of the Polymer Structure and Effects of Environmental Pollutants"", https://doi.org/10.17617/3.4JHOMW, Edmond, V1
In this study, we develop a computational model to focus on how VOCs and water in the environment interact with the acrylic polymers found in modern paints. This dataset contains molecular dynamics simulation trajectories of acrylic polymers (PMMA, PEA and PnBA) and copolymers (...
MS Data for Publication "Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference"
May 2, 2023
Barends, Thomas, 2023, "MS Data for Publication "Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference"", https://doi.org/10.17617/3.TOTK6N, Edmond, V2
MS Data for publication "Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference"
Dataset and input files: Cavity Formation at Metal-Water Interfaces
Apr 17, 2023
Eggert, Thorben; Hörmann, Nicolas Georg; Reuter, Karsten, 2023, "Dataset and input files: Cavity Formation at Metal-Water Interfaces", https://doi.org/10.17617/3.WERJXN, Edmond, V1
Protein NMR Data for "Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation"
Mar 31, 2023
Farès, Christophe, 2023, "Protein NMR Data for "Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation"", https://doi.org/10.17617/3.DD3QX6, Edmond, V1
This entry includes all the protein NMR data used in the manuscript "Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation" by Philipp Hartmann et al.. The data includes the raw and processed NMR data leading to the 1H, 13C and 15N chemical shift assignme...
Simulation and experimental files, datasets and equipment setup for "Nonlinear frequency response analysis of oxygen reduction reaction on silver in strong alkaline media"
Simulation and experimental files, datasets and equipment setup for "Nonlinear frequency response analysis of oxygen reduction reaction on silver in strong alkaline media"
Mar 13, 2023
Zivkovic, A. Luka, 2023, "Simulation and experimental files, datasets and equipment setup for "Nonlinear frequency response analysis of oxygen reduction reaction on silver in strong alkaline media"", https://doi.org/10.17617/3.1GTTFE, Edmond, V1
This batch contains simulation and experimental datasets, along with the simulation files and generated publication figures. The experimental files (equipment setup, datasets, runs) have "experimental" in their description. Each file title corresponds to the published figure.
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