# Molecular dynamics simulation dataset of a kinesin on tubulin heterodimers in electric field

## TL;DR

This paper provides molecular dynamics simulation data showing how electric fields affect kinesin movement on microtubules.

## Contribution

The study introduces a dataset from non-equilibrium simulations of kinesin under various electric field conditions.

## Key findings

- Electric fields influence kinesin detachment from microtubules.
- Different field orientations and strengths alter the kinetics and energetics of electro-detachment.

## Abstract

We present trajectories from non-equilibrium (in electric field) molecular dynamics (MD) simulations of a kinesin motor domain on tubulin heterodimers with two tubulin heterodimers forming neighbouring microtubule protofilaments. The trajectories are for no field (long equilibrium simulation), for four different electric field orientations (X, -X, Y, -Y) and for the X electric field at four different field strengths. We also provide a trajectory for larger simulation box. Our data enable to analyze the electric field effects on kinesin, which ultimately leads to kinesin detachment. This data set was used to understand the effect of electric field orientation and field strength on the kinetics and energetics of the electro-detachment of kinesin [1].