Free energy of ligand-receptor systems forming multimeric complexes

TL;DR

This paper develops a general theoretical formula to calculate the free energy of ligand-receptor systems with multimeric complexes, extending beyond traditional one-to-one interactions, and applies it to recent experimental models.

Contribution

It introduces a novel, general approach for calculating free energy in multimeric ligand-receptor systems, surpassing existing one-to-one binding models.

Findings

Derived a universal free energy formula for multimeric ligand-receptor systems

Validated the approach on systems with three-linker complexes

Demonstrated applicability to recent experimental models

Abstract

Ligand-receptor interactions are ubiquitous in biology and have become popular in materials in view of their applications to programmable self-assembly. Although, complex functionalities often emerge from the simultaneous interaction of more than just two linker molecules, state of art theoretical frameworks enable the calculation of the free energy only in systems featuring one-to-one ligand/receptor binding. In this communication we derive a general formula to calculate the free energy of a system featuring simultaneous direct interaction between an arbitrary number of linkers. To exemplify the potential and generality of our approach we apply it to the systems recently introduced by Parolini et al. [ACS Nano 10, 2392 (2016)] and Halverson et al. [J. Chem. Phys. 144, 094903 (2016)], both featuring functioanlized Brownian particles interacting via three-linker complexes.