Molecular Dynamics Simulations of Linear Ubiquitin Dimers

Dataset

DOI

This dataset contains trajectory data of linear linked ubiquitin dimers (diUb). Each simulation (12x) is 50 ns long and was started from an open (ubiquitin moieties are separated) conformation to give 60 000 samples every 10 ps. Simulations were performed using the GROMACS simulation package v.5 and the GROMOS 54a7 force field.

Identifier
DOI	https://doi.org/10.48606/rtda48r76y1e71cc
Related Identifier	IsReferencedBy https://doi.org/10.1371/journal.pcbi.1006589
Related Identifier	IsReferencedBy https://doi.org/10.1021/acs.jcim.5c00887
Metadata Access	https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.48606/rtda48r76y1e71cc

Provenance
Creator	Berg, Andrej
Publisher	University of Konstanz
Contributor	RADAR
Publication Year	2025
Funding Reference	Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg 501100003542 Crossref Funder ID ; Deutsche Forschungsgemeinschaft 501100001659 Crossref Funder ID
Rights	Open Access; Creative Commons Zero v1.0 Universal; info:eu-repo/semantics/openAccess; https://creativecommons.org/publicdomain/zero/1.0/legalcode
OpenAccess	true

Representation
Resource Type	MD Simulations; Dataset
Format	application/x-tar
Discipline	Chemistry; Natural Sciences