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Communication: Free energy of ligand-receptor systems forming multimeric complexes.

Accepted version
Peer-reviewed

Repository DOI


Type

Article

Change log

Authors

Di Michele, Lorenzo  ORCID logo  https://orcid.org/0000-0002-1458-9747
Bachmann, Stephan J 
Parolini, Lucia 
Mognetti, Bortolo M 

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.

Description

Keywords

DNA, Single-Stranded, Ligands, Models, Biological, Models, Chemical, Protein Multimerization, Protein Structure, Quaternary, Receptors, Cell Surface, Thermodynamics

Journal Title

J Chem Phys

Conference Name

Journal ISSN

0021-9606
1089-7690

Volume Title

144

Publisher

AIP Publishing
Sponsorship
Leverhulme Trust (ECF-2015-494)
Engineering and Physical Sciences Research Council (EP/J017566/1)
LDM and LP acknowledge support from the EPSRC Programme Grant CAPITALS number EP/J017566/1. LDM acknowledges support from the Oppenheimer Fund and Emmanuel College Cambridge. SB and BMM are supported by the Universit´e Libre de Bruxelles (ULB).