A fundamental question in receptor-mediated endocytosis remains unanswered: what initial driving force brings ligands and receptors into close proximity? While previous models assume pre-existing contact and overlook this initiation problem, we propose that entropic forces from nanoscale biomolecules in crowded cellular environments provide the essential driving mechanism. We develop a unified continuum model rooted in the Onsager variational principle, where engulfment depth serves as the generalized coordinate and the driving force derives from a free energy landscape of entropic, binding, membrane, and cytoskeleton contributions. The framework naturally incorporates: (i) entropy-driven adhesion as initiation; (ii) ligand-receptor binding as the sustaining force; (iii) membrane deformation via the Helfrich-Canham Hamiltonian; and (iv) cytoskeleton viscoelasticity through the elastic-viscoelastic correspondence principle. The kinetic phase diagram predicts a critical biomolecule concentration for initiation, a lower bound of ligand density for complete engulfment, a finite size window for engulfable particles, and an optimal virus radius of 30--60 nm that decreases with increasing binding energy. The Onsager solubility condition naturally yields the phase boundaries. The model exhibits asymptotic consistency with the classic Asakura-Oosawa result in the large-particle flat-surface limit. Stiffer cells lead to longer engulfment times and narrower size windows. Strikingly, the optimal size matches HIV-1 dimensions under physiologically realistic parameters. This work provides a variational foundation for cellular uptake with implications for virology, nanotechnology, and drug delivery.
Receptor-mediated endocytosis requires a particle to approach the cell membrane to within a few nanometers before ligand–receptor binding can occur. Existing continuum models often start from an already established contact and do not explicitly describe how crowding particles on the extracellular side influence the dis...
A minimal two-dimensional TCR–pMHC mechanochemical energy-landscape model is formulated in which peptide-dependent allosteric binding geometry, hinge elasticity, receptor extension, binding-site separation and applied force jointly determine the activation barrier and bond lifetime.
Yogesh B. Bali, Alan D. Rendall, W. Quapp· Royal Society Open Science· 0 citations
A "reaction coordinate" within the Umbrella-Sampling framework is developed to compute the free-energy cost associated with local membrane bending in both coarse-grained and atomistic simulations, providing a unified approach for quantifying membrane bending energetics across lipids, proteins, and simulation scales.
Rupam Dey, Jatin Soni, Taraknath Mandal· Journal of Chemical Theory a...· 0 citations
Contact inhibition of proliferation (CIP) enables epithelial tissues to self-regulate growth and maintain tissue homeostasis. However, how cell-level mechanical contact, tissue-scale structural order, and proliferation kinetics interplay remains a fundamental open question in living matter physics. Here, we present a p...
Interfacial polymerization (IP) is fundamentally governed by the reaction-induced phase separation (RIPS), a condensed chemical process that enables the fabrication of functional polymer films, microcapsules, and nanofibers. However, IP topology evolution is highly non-equilibrium, with thermodynamic phase separation a...