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Data for: Suppressing the rebound of impacting droplets from solvophobic surf... Dataset
This tutorial is for Multi-body dissipative particle dynamics simulations of droplets of dilute polymer solution on a solvophobic surface for different droplet sizes, impact... -
Rebound suppression by small amount of polymer additives: Slow hopping mechanism Dataset
This tutorial is for Multi-body dissipative particle dynamics simulations of droplets of dilute polymer solution on a solvophobic surface. The simulations are performed using... -
Data related to "Preferential interaction of DNMT3A subunits containing the R... Dataset
Methylation of substrate libraries Single-stranded DNA oligonucleotides used for generation of double stranded substrates with a distance of 12 base pairs between CpG sites were... -
Replication data of C4 group for: "Interplay of Polarity and Confinement in A... Dataset
In this dataset, all simulation data are listed. That includes all geometry optimizations, single-point calculations, and IBO calculations. Furthermore, thermal corrections for... -
Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene... Dataset
All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is... -
Replication data of B3 group for: "Interplay of Polarity and Confinement in A... Dataset
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared ligands,... -
Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene... Dataset
Neutral and cationic tungsten imido alkylidene complexes of the general formulas W(NtBu)(CHR1)(OR2)Cl(NHC),W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl2(NHC),... -
Data for: Correlation of mitochondrial TOM core complex stop-and-go and open-... Dataset
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... -
Supplementary material for 'An atomistic view on the uptake of aromatic compo... Dataset
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all... -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for... Dataset
Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab -
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Prot... Dataset
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the... -
Publication data of C1 group for: Quantitative Distinction between Noble Meta... Dataset
All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from... -
Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs o... Dataset
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... -
Supplementary material for 'Umbrella sampling and double decoupling data for ... Dataset
This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of... -
Measuring the viscoelastic properties and curing characterstics of Vertecem V... Dataset
A commercially available bone cement (Vertecem V+) is subjected to an oscillometric test using a parallel plate rheomter in order to characterise its viscoelastic properties.... -
Humidity and thermal triggered Shape Memory Effect - Rheology-based numerical... Dataset
This data contains diffusion measurements of Shape Memory Polymers (SMP) immersed in demineralized water. The SMP is a polyurethane-based Polymer, which is produced from SMP... -
Humidity and thermal triggered Shape Memory Effect - Rheology-based numerical... Dataset
This data contains iso-thermal and iso-humid shear frequency-sweep measurements of Shape Memory Polymers (SMP). The SMP is a polyurethane-based Polymer, which is produced from... -
Humidity and thermal triggered Shape Memory Effect - Rheology-based numerical... Dataset
This data contains a Thermal Humid Mechanical Cycle (THMC) of Shape Memory Polymers (SMP). The SMP is a polyurethane-based Polymer, which is produced from SMP Technologies Inc.... -
micro-XRCT data sets of subflorescent salt crusts from evaporation of MgSO4 s... Dataset
This data set contains data of scans of three separated dry salt crusts that formed by evaporation of magnesium sulfate solution with 0.96 mol/L initial concentration from F32... -
micro-XRCT data sets of subflorescent salt crusts from evaporation of MgSO4 s... Dataset
This data set contains data of scans of three separated dry salt crusts that formed by evaporation of magnesium sulfate solution with 0.32 mol/L initial concentration from F32...
