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Supplementary material for "Ethylene Oligomerization Under Confinement Using ...
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp). Also... -
Supplementary data to "Roles of ligand, phosphorylation, and membrane in asse...
GROMACS simulation files, initial and final snapshots (all atoms) as well as simulation trajectories (proteins, ligands, membrane) of (i) beta-arrestin 2 (barr2) in inactive and... -
Supplementary material for ''Ring-Expansion Metathesis Polymerization under C...
This dataset contains simulation input files, topologies and coordinate files in GROMACS format accompanying the mentioned publication. With the provided Jupyter notebooks the... -
Replication Data for: Origin of the yield stress anomaly in L12 intermetallic...
Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials",... -
Amphiphilic Peptide Binding on Crystalline vs. Amorphous Silica from Molecula...
The leucine-lysine amphiphilic peptide LKα14 has been used to study fundamental driving forces in processes such as peptide-surface binding and biomineralization. Here, we... -
Investigation of the dynamic nature of proteins with enhanced sampling techni...
In dieser Arbeit werden zwei Aspekte der dynamischen Natur von proteinen mit Hilfe von Enhanced Sampling Methoden untersucht. Zunächst wurden... -
Replication Data for: Origin of the yield stress anomaly in L12 intermetallic...
Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials",...
