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Dataset: combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes

Abstract: 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 timestep. The six ubiquitylation sites K30, K41, K47, K51, K56, and K63 can be found in their respective folders. The starting structures were created by rotating the chi3 angle of the ubiquitylated lysine. The simulation data encompasses the simulations from these starting structures plus so-called expansion simulations started from these initial simulations. Find more info in the provided README.

Cite this as

Sawade, Kevin, Marx, Andreas, Peter, Christine, Kukharenko, Oleksandra (2023). Dataset: Dataset: combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes. https://doi.org/10.48606/99

DOI retrieved: 2023

Additional Info

Field Value
Imported on August 4, 2023
Last update August 4, 2023
License GNU Lesser General Public License v3.0 only
Source https://doi.org/10.48606/99
Author Sawade, Kevin
More Authors
Marx, Andreas
Peter, Christine
Kukharenko, Oleksandra
Source Creation 2023
Publishers
Universität Konstanz
Production Year 2020-2023
Publication Year 2023
Subject Areas
Name: Chemistry