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Using this method, we not only can avoid repeating simulations at multiple temperatures but can also estimate the free energy and entropy, quantities which are not directly accessible by conventional Monte Carlo simulations.
PKA is another important and diffusible molecule in the model; thus, the effect of diffusion of the PKA catalytic subunit (PKAc) also is evaluated, by repeating simulations with the PKAc diffusion constant ranging from one half to two times its control value.
An initial investigation into this was made by repeating simulations for scenario 14 (for which the Branson & Whitehead method previously gave a relatively low coverage of 82.6%) with confidence intervals calculated from 100 bootstrapped samples using the normal approximation method.
Underlining the generality of our observation, we were also able to monitor such a spontaneous binding event when repeating simulations for an FxFG-rich region of Nup153 binding to ImportinβN.
We have investigated the sensitivity of our approach to this selection strategy by repeating simulations: (i) adjusting only for those axes of genetic variation amongst the first three that are correlated with disease status using P <0.1 and (ii) all of the first three axes of genetic variation, irrespective of their correlation with disease status.
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QVAL and LFDR do not always outperform BH method when repeating simulation in each scenario as they have much bigger interquartile range in the boxplot (Additional file 9).
We repeated simulations by first eliminating mediation from the simulated scenarios to evaluate whether the positive bias in the SEM persisted in unmediated settings.
Although the data results of each of the repeated simulations were different due to the added white noise, the simulated drug induced muscle relaxation and BP values of each SOFLC converged to similar values among the 10 repeated simulations.
This calibration was performed by running repeated simulations and gradually adjusting parameters until a close match between simulated and actual outbreak data was achieved.
The distribution of output values generated from repeated simulations is analyzed statistically.
Repeated simulations are applied so that the extreme value distribution can be established.
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