Free Energy of Membrane Pore Formation and Stability from Molecular Dynamics Simulations
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To cite: Rivel, T. et al. Free Energy of Membrane Pore Formation and Stability from Molecular Dynamics Simulations. J. Chem. Inf. Model. 2025, 65, 2, 908–920. DOI: 10.1021/acs.jcim.4c01960 The dataset contains necessary input files for running molecular dynamics simulations using either of two collective variables (Full-Path or Rapid) for free energy estimation of pore formation and stability in lipid membranes. Refer to the publication for additional details.
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Zenodo创建时间：
2024-12-17
