Published June 5, 2026 | Version v1
Dataset Restricted

Molecular dynamics simulation data for UBE3B/UBE3C-CaM complexes

Description

 This dataset contains molecular dynamics simulation inputs and processed analysis data for UBE3B/UBE3C-
  CaM complexes. The simulations include UBE3B-CaM dimer, UBE3B-CaM monomer, and UBE3C-CaM systems, each
  with three 100 ns replicates.

  The archive includes GROMACS protocol files, representative input PDB structures, solvated and ionized
  system.gro files, protein-only processed skip10 trajectories, corresponding protein-only TPR files, and
  source data for RMSD, RMSF, minimum periodic self-image distance, hydrogen bond and salt bridge contact
  analyses, and MM/PBSA analyses. MM/PBSA calculations were performed over the 80-100 ns time window.

  Raw full-resolution trajectories, checkpoint files, energy files, and large intermediate files are not
  included.

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