2026-10-14T04:39:09Zhttps://www.radar-service.eu/oai/OAIHandler10.48606/402026-04-24T07:43:02Z
https://dx.doi.org/10.48606/40
Hunkler, Simon
Berg, Andrej
Buhl, Teresa
Kukharenko, Oleksandra
Peter, Christine
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
Universität Konstanz
2022
Chemistry
dataset
Dataset
info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/4.0/legalcode
Trajectories, structures and encodermap projections of the K48-linked tri-ubiquitin system
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.
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.
ubiquitin
polyubiquitin
back-mapping based sampling
coarse graining
molecular dynamics simulations
application/x-tar