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Data for: Tracking the activity and position of mitochondrial beta-barrel pro... Dataset
Total interference reflection fluorescence microscopy (TIRF) of lipid bilayers is an effective technique for studying the lateral motion and ion channel activity of individual... -
Data for: Performance of two complementary machine-learned potentials in mode... Dataset
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the... -
Data for: Thermodynamic properties on the homologous temperature scale from d... Dataset
Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in... -
Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Co... Dataset
This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a... -
Scripts and Data for "A Generalized Grand-Reaction-Method for Modelling the E... Dataset
Simulation scripts, simulation data and plotting scripts for the paper "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a... -
Material for the paper "The possible role of lipid bilayer properties in the ... Dataset
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... -
Data from "Extremely Small Twist Elastic Constants in Lyotropic Nematic Liqui... Dataset
Depolarized dynamic light scattering (DDLS) data, fit routine & fitting results -
Scripts for "Assessing the validity of NMR relaxation rates obtained from coa... Dataset
Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two... -
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a... Dataset
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... -
Molecular simulation scripts for slit nanopores Dataset
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration... -
Molecular simulation scripts for bulk solutions Dataset
GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script... -
Viscosities of experimental aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Viscosities of experimental aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Self-diffusion coefficients of experimental aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Tracer-diffusion coefficients of experimental aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of experimental aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of experimental aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Self-diffusion coefficients of simulated aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Self-diffusion coefficients of simulated aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of simulated aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the...
