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Representative simulated trajectories from: Transient ion-mediated interactions regulate subunit rotation in a eukaryotic ribosome

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DataCite Commons2026-04-10 更新2026-04-25 收录
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https://datadryad.org/dataset/doi:10.5061/dryad.g4f4qrg4r
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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
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