2026-10-14T12:05:27Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00263 2026-06-12T10:08:02Z

2026-06-12 The data of the article “Modeling Study on Condensed Matter Mediated Membrane Surface Regulating Proteins Connecting into Rings” doi:10.57760/sciencedb.j00213.00263 en This dataset includes the molecular dynamics simulation script files used to compute all results presented in the paper (Equation (1)), as well as the solution codes for the reaction-diffusion kinetic model described in Equations (2) and (3). 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. The subfolders within fig2_code to fig5_code contain the MATLAB solution codes (.m files) based on the reaction-diffusion kinetic model (Equations (2) and (3)) to reproduce all results in Figures 2 to 5. Running these codes in MATLAB directly yields all corresponding results. Molecular dynamics simulation script files; MATLAB solution codes for the reaction-diffusion kinetic model equations; All computational results zhao xin jun Han Tuodi Liu Yufei Ma Beibei Jiang Zhongying PUBLIC https://creativecommons.org/publicdomain/zero/1.0/ dataset http://www.doi.org/10.7498/aps.75.20260582 Science Data Bank