ArticleJournal of chemical information and modeling2026
Exploring the Interactions Between Methyl Methacrylate Polymers and the Bacterial Outer Membrane via Coarse-Grained Molecular Dynamics Simulations.
Article in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Polymer brush coatings offer a promising strategy for combating bacterial adhesion and biofilm formation in medical devices. However, a detailed molecular understanding of how different brush chemistries interact with bacterial membranes remains incomplete. In this study, we use coarse-grained steered molecular dynamics and umbrella sampling simulations to investigate the interaction and translocation process of four methyl methacrylate-derived polymers: pDMAEMA (weak cationic), pMETAC (strong cationic), pMEDSAH (zwitterionic), and pSPMA (anionic), through a bacterial outer membrane (OM) model of
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