title: Communication: Free energy of ligand-receptor systems forming multimeric complexes.
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 the 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 systems 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 and Tkachenko [J. Chem. Phys. 144, 094903 (2016)], both featuring functionalized Brownian particles interacting via three-linker complexes.
authors.affiliation: Biological and Soft Systems, Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
authors.forename: Lorenzo
authors.initials: L
authors.lastname: Di Michele
authors.affiliation: Interdisciplinary Center for Nonlinear Phenomena and Complex Systems & Service de Physique des Systèmes Complexes et Mécanique Statistique, Université Libre de Bruxelles (ULB), Campus Plaine, CP 231, Blvd du Triomphe, B-1050 Brussels, Belgium.
authors.forename: Stephan J
authors.initials: SJ
authors.lastname: Bachmann
authors.affiliation: Biological and Soft Systems, Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
authors.forename: Lucia
authors.initials: L
authors.lastname: Parolini
authors.affiliation: Interdisciplinary Center for Nonlinear Phenomena and Complex Systems & Service de Physique des Systèmes Complexes et Mécanique Statistique, Université Libre de Bruxelles (ULB), Campus Plaine, CP 231, Blvd du Triomphe, B-1050 Brussels, Belgium.
authors.forename: Bortolo M
authors.initials: BM
authors.lastname: Mognetti
mesh_terms: D004277:DNA, Single-Stranded / Q000737:chemistry; D008024:Ligands; D008954:Models, Biological; D008956:Models, Chemical; D055503:Protein Multimerization; D020836:Protein Structure, Quaternary; D011956:Receptors, Cell Surface / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D004277:DNA, Single-Stranded; D008024:Ligands; D011956:Receptors, Cell Surface