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Although the approach that was based on MD simulations with one CBZ molecule was successful in the case of mutants I369F and A370V, where the maximal rate of CBZ turnover is considerably increased, examination of the kinetics profiles of CBZ metabolism with the full series of mutants reveals certain limitations of this simplified model.
The behavior of the mixing ratios is similar to the previous simulations with one clear exception.
Numerical simulations with one or four layers of cover stones without filter layer were first computed.
Frequency domain simulations with one blade and the blade-to-ground damper were also carried out.
Indications of the rate-limiting processes during the reactions are obtained by comparison of the measured reaction kinetics with simulations with one specific rate-limiting process.
Simulations with one or two more force-fields, performing 10 replicas for each one, would be appreciated.
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Third, we note that in some cases we can approximate a quantum simulation model with one of higher symmetry in order to gain more information from the FIM.
To examine accuracy of the proposed method for SRV characterization, a simple reservoir simulation model with one hydraulic fracture in a closed system (equivalent to one fractured stage in a multi-stage fractured well) is built and run using typical fractured shale reservoir characteristics.
We begin the simulations with ones that assume one-time immigration, as presented in Tables 3 and 4. The reported simulations span a period of eight generations (t = 0,1,…,7).
These four methods will be compared by simulation with one of the methods proposed by Van Raden [ 5], which can be seen as an implementation of expression (6).
For the sake of illustrations, two target genes were considered (i.e. values of j = 1 and l = 2) in the simulation with one as an activator and the other as a repressor (the values k RL = k AL = 1 were used).
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