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

Year: 2026

Type: dataset

Abstract: 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.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.23912912

Authors: Šmerc, Rok, Čagalj, Jan, Tarek, Mounir, Rems Mahnič, Lea

Institutions: University of Ljubljana, Université de Lorraine

Language: English

Topic: Lipid Membrane Structure and Behavior

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7225183291

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