2026-06-24T02:37:46Zhttps://www.radar-service.eu/oai/OAIHandler10.48606/rx7md621k9zawfz72026-04-24T07:44:40Z
10.48606/rx7md621k9zawfz7
Globisch, Christoph
Christoph
Globisch
0000-0001-9492-552X
University of Konstanz
Molecular Dynamics Simulations of Ubiquitin K11 Mutants
University of Konstanz
2022
2025
Chemistry
Molecular Dynamics
Ubiqutiin
Gromacs
MD Simulations
Open Access
Creative Commons Zero v1.0 Universal
Christoph Globisch
0000-0001-9492-552X
Peter, Christine
0000-0002-1471-5440
University of Konstanz
This dataset contains trajectory data of the protein ubiquitin with different amino acid mutations at position 11. The variants present in this dataset are wt, K11R, K11Q, K11C, and K11Ac (where the epsilon amino acid of lysine is acetylated). For each variant there are 3 replicate simulations with 200 ns simulated time and time steps of 50 ps. Simulations were performed using the GROMACS simulation package version 2018 and version 2020 and the GROMOS 54a7 force field.
10.1038/s41467-022-33087-1
10.1021/acs.jcim.5c00887
Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg
https://doi.org/10.13039/501100003542
Deutsche Forschungsgemeinschaft
https://doi.org/10.13039/501100001659
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