Computing the Minimal Rebinding Effect Included in a Given Kinetics

  • The rebinding effect is a phenomenon which occurs when observing a ligand-receptor binding process. On the macro scale this process comprises the Markov property. This Makovian view is spoiled when switching to the atomistic scale of a binding process. We therefore suggest a model which accurately describes the rebinding effect on the atomistic scale by allowing ''intermediate'' bound states. This allows us to define an indicator for the magnitude of rebinding and to formulate an optimization problem. The results form our examples show good agreement with data form laboratory.

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Author:Marcus Weber, Konstantin Fackeldey
Document Type:Article
Parent Title (English):Multiscale Model. Simul.
First Page:318
Last Page:334
Year of first publication:2014