Theory and simulation of stochastically-gated diffusion-influenced reactions

Journal of Physical Chemistry

Volumn 100, Issue 7, 1996, Pages 2597-2604

  Zhou, Huan Xiang ^a   Szabo, Attila ^b  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000076483     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952376i     Document Type: Article

References (22)

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10. (n)). To avoid confusion with the symbol denoting gating states, we use ρ instead.
11. Rotational diffusion of a spherical macromolecule with a small reactive patch can be formally treated as gating if the gating variable g is identified with the unit vector e describing the orientation of the patch. In this case, symmetry dictates that the macromolecule survival probability is independent of the initial orientation, so eq 2.41 is equivalent to eq 2.22.
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17. Note that the dynamics of the pair system is exactly the same if the ligand rather than the macromolecule is gated.
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19. 1/3, where rand is a random number uniformly distribution between 0 and 1.
20. Δ′dt f(t) ≈ f(0) Δt) rather than the trapezoidal rule for numerical integration.
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