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.
The coordinate and structure files for the tubulin dimer, with explicit solvent, are defined in protein.pdb and protein.psf.

ambient.0kVcm.dcd is a 50 ns trajectory of a tubulin dimer unexposed to an EEF.
positiveTransverse.750kVcm.dcd, negativeTransverse.750kVcm.dcd,positiveLongitudinal.750kVcm.dcd, and
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.

+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.
Scripts for setup and analysis of the trajectories can be found at: https://github.com/JJTimmons/tubulin-in-an-EEF

沿四个不同电场方向施加强外电场（external electric fields, EEF）条件下的微管蛋白二聚体分子动力学模拟数据集。
该含显式溶剂化层的微管蛋白二聚体的坐标与结构文件分别存储于protein.pdb与protein.psf中。
ambient.0kVcm.dcd 为未施加外电场的微管蛋白二聚体50 ns时长的分子动力学轨迹。positiveTransverse.750kVcm.dcd、negativeTransverse.750kVcm.dcd、positiveLongitudinal.750kVcm.dcd 与 negativeLongitudinal.750kVcm.dcd 分别为沿对应轴（详见手稿）施加750 kV/cm外电场的微管蛋白二聚体50 ns时长轨迹，外电场施加时段为10 ns至20 ns之间。
+200k.dcd、+100k.dcd、+50k.dcd、+0.dcd、-50k.dcd、-100k.dcd 与 -200k.dcd 为总时长10 ns的轨迹，对应微管蛋白二聚体暴露于强度低于前述750 kV/cm脉冲场的外电场中，电场强度与轨迹文件名直接对应，且外电场在该类短时长轨迹的全程均处于施加状态。
该类轨迹的构建与分析脚本可于以下链接获取：https://github.com/JJTimmons/tubulin-in-an-EEF