Molecular dynamics simulation data for UBE3B/UBE3C-CaM complexes

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.