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. Author manuscript; available in PMC: 2017 Jul 7.
Published in final edited form as: J Phys Chem B. 2016 May 9;120(26):6306–6318. doi: 10.1021/acs.jpcb.6b02768

Figure 11.

Figure 11

Figure 11

(A) The fraction capsid PN predicted by BD simulations and the master equation as a function of the binding energy parameter εb for ‘No Allostery’, for t = 107t0. Parameters for the BD simulations are as in Fig. 3, and the master equation parameters are set correspondingly (see the text in Appendix). (B) The master equation results for fraction capsid are shown as a function of the shifted binding energy εbeff (Eq. 7) for ‘No Allostery’ and ‘Induced Fit’ with two activation energy values (compare to the bottom panel of Fig. 4). The only adjustable parameter for the master equation in these results is the association rate constant k, which was set (by eye) to k = 0.003σ3/t0.