This repository contains MD simulation input and data, in directories MDsim and Source_data. The files in MDsim are for an unrestrained simulation started from the end of the refinement simulation, and include the simulaton input file, the initial structure (= last frame of the refinement simulation), and the final output of the simulation. The excel file in Source_data contains data used to make plots in figures.
If you use any file in this depository or a portion thereof, please cite:
R. Zhang, H. Qin, R. Prasad, R. Fu, H.-X. Zhou, and T. A. Cross (2023). Dimeric transmembrane structure of the SARS-CoV-2 E protein. bioRXiv, DOI: 10.1101/2023.05.07.539752.