Simulation input files for "Lidocaine accelerates electroporation of lipid bilayers: A molecular dynamics study"

Simulation input files associated with the article "Lidocaine accelerates electroporation of lipid bilayers: A molecular dynamics study" (Bioelectrochemistry, 2026, https://doi.org/10.1016/j.bioelechem.2026.109497). The dataset contains the GROMACS input files (starting structures, topologies and simulation parameter files) for atomistic molecular dynamics simulations of three lipid bilayers (POPC, asymmetric POPC+POPS, and a fifteen-component complex bilayer) with uncharged or charged lidocaine at two concentrations, and of the corresponding lidocaine-free bilayers, without and under a constant electric field. Simulation trajectories are not included. The folder structure and simulation details are described in Data_description_README.txt.