Representative simulated trajectories from: Transient ion-mediated interactions regulate subunit rotation in a eukaryotic ribosome
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https://datadryad.org/dataset/doi:10.5061/dryad.g4f4qrg4r
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资源简介:
This data set includes representative trajectories and a reference PDB
that were generated for use with the SMOG+inner-ion model (Wanes et al.
2026). In the force field, the rotated and unrotated conformations of the
eukaryotic ribosome were defined to be stable, and explicit electrostatics
and ions were also included. To model ion-RNA interactions, effective
potentials were defined that ensure the local distribution of divalent
ions is consistent with experimental measures for smaller model RNA
systems. In this specific data set, the trajectory files represent the
final simulated segments of umbrella simulations for the rotated and
unrotated ensembles. The umbrella was introduced to sample distinct states
of rotation, though the ions were free to associate/dissociate.
提供机构:
Dryad
创建时间:
2026-03-24



