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The physical regimes created in these thrusters indicate that a variety of numerical methods is required for accurate numerical simulation ranging from continuum formulations to kinetic approaches.
The state of the model system is tuned by changing its temperature obtained in a molecular dynamics simulation, ranging from the equilibrium fluid phase to the deeply quenched supercooled states.
The 19 virtual peptides of OPN exhibit large differences in predicted HA-binding behavior, their center-of-mass distances from the {100} face at the end of the simulation ranging from about 0.8 nm to just over 4 nm.
The time-step used per capsid simulation ranging from 120-fs to 250-fs suggests a connection between the maximal acceptable time-step and the degree of coarse-graining (one CG bead contains ~200 atoms in this case).
The frequency distribution of bias and error adjusted ORs are shown in online supplementary figure S1A, where the median bias-adjusted relative risk was 10.47 with 95% simulation ranging from 1.83 and 248.
Note also that for these state variables, both of which monotonically increase with no fluctuations, there is significant variability between simulations in the total protein synthesized at the end of the simulation ranging from 40 – 75 protein molecules synthesized.
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The in situ concentration predicted by the simulation ranges from 96 to 111 wt%.
Mean kinetic temperatures recorded across the 23 field workers' storage sites during the first simulation ranged from 25.1°C to 28.5°C.
Figure 2 shows that the ICER in the second-order Monte Carlo simulation ranged from €1,060 to €2,769.
Ref = reference scenario; Sc. 1 = scenario 1; Sc. 2 = scenario 2; Sc. 3 = scenario 3; Sc. 4 = scenario 4. Prediction accuracy, i.e. correlation between the breeding values predicted by GS and the TBV obtained from simulation, ranged from 0.69 to 0.86 in the validation population (generation 1) across the different scenarios analysed.
By this method, Ovechkin projects to score 111 goals over the next three years, with simulations ranging from a low of 81 to a high of 142 goals over that span.
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Justyna Jupowicz-Kozak
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