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Current Status of Molecular Dynamics Simulations of Membrane Permeabilization by Antimicrobial Peptides and

Sofia Cresca1,2, Jure Borišek1, Alessandra Magistrato3

  • 1Theory Department, National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia.

Journal of Chemical Information and Modeling
|February 9, 2026
PubMed

Keywords:
Antimicrobial peptidesArtificial intelligenceCoarse-grained simulationsEnhanced samplingForce fieldLipidsMembranesMolecular dynamic simulationsPore-forming proteins

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