Communication: Simple approach for calculating the binding free energy of a multivalent particle.

نویسندگان

  • Nicholas B Tito
  • Stefano Angioletti-Uberti
  • Daan Frenkel
چکیده

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 Interaction Theory (VLIT) [P. Varilly et al., J. Chem. Phys. 137, 094108 (2012); S. Angioletti-Uberti et al., ibid. 138, 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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عنوان ژورنال:
  • The Journal of chemical physics

دوره 144 16  شماره 

صفحات  -

تاریخ انتشار 2016