Thermodynamic analysis of multivalent binding of functionalized nanoparticles to membrane surface reveals the importance of membrane entropy and nanoparticle entropy in adhesion of flexible nanoparticles.

ABSTRACT: We present a quantitative model for multivalent binding of ligand-coated flexible polymeric nanoparticles (NPs) to a flexible membrane expressing receptors. The model is developed using a multiscale computational framework by coupling a continuum field model for the cell membrane with a coarse-grained model for the polymeric NPs. The NP is modeled as a self-avoiding bead-spring polymer chain, and the cell membrane is modeled as a triangulated surface using the dynamically triangulated Monte Carlo method. The nanoparticle binding affinity to a cell surface is mainly determined by the delicate balance between the enthalpic gain due to the multivalent ligand-receptor binding and the entropic penalties of various components including receptor translation, membrane undulation, and NP conformati

SUBMITTER: Farokhirad S 

PROVIDER: S-EPMC6868310 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature