Effective nonadditive pair potential for lock-and-key interacting particles: The role of the limited valence

Abstract

Theoretical studies of self-assembly processes and condensed phases in colloidal systems are often based on effective interparticle potentials. Here we show that developing an effective potential for particles interacting with a limited number of “lock-and-key” selective bonds (due to the specificity of biomolecular interactions) requires—in addition to the nonsphericity of the potential—a (many body) constraint that prevents multiple bonding on the same site. We show the importance of retaining both valence and bond selectivity by developing, as a case study, a simple effective potential describing the interaction between colloidal particles coated by four single-strand DNA chains.