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/content/aip/journal/jcp/144/16/10.1063/1.4948257
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http://aip.metastore.ingenta.com/content/aip/journal/jcp/144/16/10.1063/1.4948257
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/content/aip/journal/jcp/144/16/10.1063/1.4948257
2016-04-27
2016-12-11

Abstract

We present a simple yet accurate numerical approach to compute the free energy of binding of multivalent objects on a receptor-coated surface. The method correctly accounts for the fact that one ligand can bind to at most one receptor. The numerical approach is based on a saddle-point approximation to the computation of a complex residue. We compare our theory with the powerful Valence-Limited InteractionTheory (VLIT) [P. Varilly , J. Chem. Phys. , 094108 (2012); S. Angioletti-Uberti , . , 021102 (2013)] and find excellent agreement in the regime where that theory is expected to work. However, the present approach even works for low receptor/ligand densities, where VLIT breaks down.

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