Datensatz:

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

Vorschaubild

Datum der Erstveröffentlichung

2023

Autor:innen

Andere Beitragende

Repositorium der Erstveröffentlichung

KonDATA

Version des Datensatzes

DOI (Link zu den Daten)
https://doi.org/10.48606/99
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oops

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Deutsche Forschungsgemeinschaft (DFG): CRC 969

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Chemie: Datensätze
Core Facility der Universität Konstanz
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Titel in einer weiteren Sprache

Publikationsstatus
Published

Zusammenfassung

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.

Zusammenfassung in einer weiteren Sprache

Fachgebiet (DDC)
540 Chemie

Schlagwörter

Chemistry, Molecular Dynamics, Gromacs, Linker histone, Ubiquitin, Chromatin, Nucleosome, Chromatosome

Zugehörige Publikationen in KOPS

Vorschaubild
Publikation
Zeitschriftenartikel
Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes
(2023) Sawade, Kevin; Marx, Andreas; Peter, Christine; Kukharenko, Oleksandra
Erschienen in: PLOS Computational Biology. Public Library of Science (PLoS). 2023, 19(8), e1010531. eISSN 1553-7358. Verfügbar unter: doi: 10.1371/journal.pcbi.1010531
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Link zu zugehörigem Datensatz

Zitieren

ISO 690SAWADE, Kevin, Andreas MARX, Christine PETER, Oleksandra KUKHARENKO, 2023. Dataset: Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes
BibTex
RDF
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    <dc:contributor>Marx, Andreas</dc:contributor>
    <dcterms: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.</dcterms:abstract>
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