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Dataset: Combining molecular dynamics simulations and scoring method to compu...
The dataset comprises atomistic molecular dynamics simulations of ubiquitylated linker histone H1. The provided data has been stripped from solvent and subsampled with a 50 ps... -
Simulation trajectories for "Acrylic Paints: An Atomistic View of the Polymer...
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... -
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...
