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A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances logo
Mar 17, 2021SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"
Most porous materials involve non-uniform solid surfaces. This project applies and further develops classical density functional theory (DFT) to study how chemical and structural heterogeneities of the porous material alter adsorption isotherms, wetting behaviour, surface tension...
Mar 14, 2023 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Saad, Mina; Weirich, Sara; Pleiss, Jürgen; Bashtrykov, Pavel, 2023, "Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation", https://doi.org/10.18419/darus-3263, DaRUS, V1
This data collection contains additional data related to Khella et al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation". This includes Movie 1: Example of a successful docking of AdoMet to the NSD2 T1150A - H3K36me2 pepti...
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/darus-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulati...
BLinK(Universität Stuttgart)
Jun 7, 2023Membranes
Container for the BLinK project
C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour logo
Jan 12, 2021SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"
We investigate the flow structure and the porosity-permeability relationship of porous media that undergo morphology modifications due to evaporation or microbially induced calcite precipitation, as well as wettability modifications of the solid-fluid interface due to fluid pH, c...
C03: Modelling of material injection processes into porous structures applied to vertebroplasty logo
Jun 21, 2021SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"
The effectiveness of bone-cement injection during vertebroplasty is highly dependent on the cement-injection-distribution pattern, the interface effects between the porous bone structure and the initially liquid cement, as well as the curing process of the bone cement itself. Tak...
C05: Process-dependent porosity-permeability relations for fluid-solid reactions in porous media logo
Mar 19, 2021SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"
Fluid-solid reactions pose a challenge for modelling flow and transport in porous media due to the dynamic changes in the pore space and the associated alteration of the permeability. This project aims to use Magnetic Resonance Imaging and X-ray computer microtomography measureme...
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...
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