Dataset for dynamics and conformational changes in human NEIL2 protein
Description
Dataset related to the article "Dataset for dynamics and conformational changes in human NEIL2 protein analyzed by integrative structural biology approach" in Data in Brief journal. The data presented here are the initial and additional data for experiments on studying the structural features of the hNEIL2 protein. There are six folders: "Circular Dichroism," "DynamX data," "Figures," "Molecular Dynamics," "MS C4 column", and "Tycho." The "Circular Dichroism," "MS C4 column", and "Tycho" folders contain the raw data for the respective experiments. The "Molecular Dynamics" folder contains the "MD movies" and "MD raw data" subfolders. In "MD movies," there are MD movies of 100 ns MD trajectory for all protein states. "MD raw data" folder includes the archives containing initial modeling data for open and closed models (corresponding topology files - * .prmtop and 100 ns MD trajectory files - * .nc, all scripts and starting models).