Molecular insights into substrate translocation in an elevator-type metal transporter

This dataset contains biased simulation trajectories for the paper entitled "Molecular insights into substrate translocation in an elevator-type metal transporter." The trajectories are named based on the information provided in the paper. The deposited trajectories contain only the protein and zinc metal ions; due to size constraints, we retained only these components and removed the rest. The entire systems and additional input files are available upon request to the authors. The dataset comprises four folders named as follows: 

First_scenario, Second_scenario, Third_scenario, and Last_scenario.

To extract the contents of the compressed file (.tar.gz), use the following command line:

tar -xzvf zip_transporter.tar.gz

Each folder contains topology files and their corresponding trajectory files. The term "Rep" in the file names denotes the simulation replicates. For instance, "rep1" indicates the first simulation replicate mentioned in the paper. All analyses were performed using cpptraj and VMD software. Custom codes for performing the analyses are available at https://gitlab.msu.edu/jafarima/zip-transporter.git.