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Although the precise values for the parameters D and ω remain either controversial or unknown at this time [24], [43], [44], the values chosen in our main model simulations described thus far were selected from a systematic sampling to yield Bcd gradient properties consistent with experimental observations as evaluated by the three criteria established above.
After identifying active reactions in defined model simulations (described below), we examined whether there was a strong association between database overlap and inclusion in the active set.
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Population tree models in the simulations (described in Results, Supplement S1) spanned a total time (tTotal) equal to tree depths of 3.741 × 10 generations, derived by converting the mean intraspecific time to the most recent common ancestor (tMRCA) estimate from BEAST from absolute time to coalescent time (=1.247 Ma/ T).
First steps in this direction have already been taken by adding simulation algorithms relevant to logical models to the Kinetic Simulation Algorithm Ontology (KiSAO [ 86]), allowing qualitative models to be used in simulations described in the Simulation Experiment Description Markup Language (SED-ML [ 87]).
These databases have been generated using a recently developed flame-wrinkling large eddy simulation (LES) model, described elsewhere.
The outcome of the model and simulations described in the present article is different: the authors conclude that evolvability is characteristic of autocatalytic chemical networks if they have a particular structure and exist in networks of compartments.
The software Matlab (The MathWorks, Natick, MA) was used for model implementation and for the simulations described below.
The primary results presented here are from numerical simulations of the model described above, supported by steady-state analysis (given in Appendix Appendix B: Steady-state analysis) where appropriate.
Simulations of the model described in Section Eco-evolutionary dynamics were carried out using discrete time intervals (one time step equalled to one day) and adding stochastic steps to account for possible drift when genotypes are at low frequencies.
Using the model described above, hydrolysis simulations were performed for the exact experimental conditions on simulated Avicel structure.
To deeply test this procedure, the simulation model described in Section 3 is made.
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