Membrane environment sets the functional pKa of ionizable lipids
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This repository contains data for the publication "Membrane environment sets the functional pKa of ionizable lipids" by Trollmann, Rossetti and Böckmann published in the Biphysical Journal (2026). File Organization: 1) parameterization - parameterization for five different aminolipids 2) parameters - Molecular dynamics parameters for GROMACS using constant-pH 3) scripts - basic Python analysis scripts 4) simulation - Snapshots from simulations, start and end points
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Zenodo创建时间：
2026-07-07
