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Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling

Abstract: Trajectories, structures and encodermap projections of the K48-linked tri-ubiquitin system TechnicalInfo: Minima_focused.tar.gz, boltzmann_weighted.tar.gz and uniform.tar.gz contain the coarse grained structures that were selected for back-mapping. Furthermore these archives contain the atomistic structures (solvated and energy minimized) that were generated by the back-mapping procedure, as well as the gromacs .tpr files that were used to run the BMBS simulations. Lastly these archives contain the encodermap projections of all BMBS trajectories. TechnicalInfo: The two archives in /CG_data (CG_data_part1.tar.gz and CG_data_part2.tar.gz) contain the CG trajectories, a CG structure and the encodermap projection of all CG trajectories.

Cite this as

Hunkler, Simon, Berg, Andrej, Buhl, Teresa, Kukharenko, Oleksandra, Peter, Christine (2022). Dataset: Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling. https://doi.org/10.48606/40

DOI retrieved: 2022

Additional Info

Field Value
Imported on January 12, 2023
Last update January 12, 2023
License CC BY 4.0 Attribution
Source https://doi.org/10.48606/40
Author Hunkler, Simon
More Authors
Berg, Andrej
Buhl, Teresa
Kukharenko, Oleksandra
Peter, Christine
Source Creation 2022
Publishers
Universität Konstanz
Production Year 2022
Publication Year 2022
Subject Areas
Name: Chemistry