Tubulin's response to external electric fields by molecular dynamics simulations – Data

Molecular dynamics simulation data of a tubulin dimer in the presence of strong external electric fields along four field directions.<br>The coordinate and structure files for the tubulin dimer, with explicit solvent, are defined in protein.pdb and protein.psf.<br><br>ambient.0kVcm.dcd is a 50 ns trajectory of a tubulin dimer unexposed to an EEF.<br>positiveTransverse.750kVcm.dcd, negativeTransverse.750kVcm.dcd,positiveLongitudinal.750kVcm.dcd, and<br>negativeLongitudinal.750kVcm.dcd, are 50 ns trajectories of the tubulin dimer exposed to 750 kV/cm EEFs along those axes (defined in manuscript). The EEF was applied between the 10 and 20 ns timepoints.<br><br>+200k.dcd, +100k.dcd, +50k.dcd, +0.dcd, -50k.dcd, -100k.dcd, and -200k.dcd are 10 ns trajectories in which the tubulin dimer is exposed to EEFs of lower magnitude (relative to the 750kV/cm pulsed field). The strengths of the applied field correspond to the trajectory name. The EEF was applied for the duration of these shorter trajectories.<br>Scripts for setup and analysis of the trajectories can be found at: https://github.com/JJTimmons/tubulin-in-an-EEF