BiomacromoleculesNanoparticlesMolecular Dynamics SimulationPolymersThermodynamicsEntropy
Deformation-Induced Enthalpy-Entropy Competition Governs Cellular Penetration of Elastic Polymer Nanoparticles: Molecular Thermodynamic-Dynamic Simulations.
Xianyu Song, Ruipeng Lai, Hongchao Liu, Kezhong Liang, Sijia Wang, Honglai Liu, Shuangliang Zhao
Published: 202510.1021/acs.biomac.5c02216
Abstract
The mechanical elasticity of polymeric nanoparticles (NPs) critically governs their interactions with biological membranes, yet the coupled thermodynamic-dynamic mechanisms remain insufficiently resolved. Here, a molecular thermodynamic-dynamic (MTD)…
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