The data of the article “Modeling Study on Condensed Matter Mediated Membrane Surface Regulating Proteins Connecting into Rings”

It contains the folders fig1_py, fig2_code, fig3_code, fig4_code, and fig5_code. Within the fig1_py folder, the subfolders fig1a to fig1f contain the molecular dynamics simulation script files (dppc.molg, dppc.py) and corresponding output results (.xml) for Figures 1a to 1f in the paper.

By directly submitting the script files (dppc.molg, dppc.py) to the PYGAMD (Python GPU-Accelerated Molecular Dynamics Software) package (Zhu Y L, Pan D, Li Z W, Liu H, Qian H J, Zhao Y, Lu Z Y, Sun Z Y 2018 Mol. Phys. 116 1065), all results for Figures 1a to 1f can be reproduced. The file fig1_g.csv in the fig1_py folder provides the data for Figure 1g, showing the time evolution of ring-closing probability.