Structural Thermodynamics of Membrane Electroporation: Voltage-Driven Interdigitation Induces Electro-Topological Disparity

This dataset publicly provides all core files required to reproduce the molecular dynamics simulations of the structural thermodynamics of membrane electroporation (including topologies, force field parameters, and input configurations), highlighting the underlying microscopic mechanisms of lipid interdigitation and dynamic cholesterol rearrangement under an electric field.本数据集公开提供了复现膜电穿孔（membrane electroporation）结构热力学分子动力学模拟所需的全部核心文件，涵盖拓扑文件、力场参数与输入构型，同时揭示了电场作用下脂质插叠与胆固醇动态重排的潜在微观机制。