4.6 Article

Universal statistical fluctuations in thermodynamics and kinetics of single molecular recognition

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 12, Pages 8570-8578

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp06416c

Keywords

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Funding

  1. National Science Foundation
  2. National Natural Science Foundation of China [11174105, 91227114, 91430217, 21190040]
  3. Science and Technology Development Plan of Jilin Province [20130101179Jc]
  4. Jilin province public computing platform

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We investigated the main universal statistical distributions of single molecular recognition. The distributions of the single molecule binding free energy spectrum or density of states were characterized in the ligand-receptor binding energy landscape. The analytical results are consistent with the microscopic molecular simulations. The free energy distribution of different binding modes or states for a single molecule ligand receptor pair is approximately Gaussian near the mean and exponential at the tail. The equilibrium constant of single molecule binding is log-normal distributed near the mean and power law distributed near the tail. Additionally, we found that the kinetics distribution of single molecule ligand binding can be characterized by log-normal around the mean and power law distribution near the tail. This distribution is caused by exploration of the underlying inhomogeneous free energy landscape. Different ligand-receptor binding complexes have the same universal form of distribution but differ in parameters.

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