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For Cd, DEBtox indicated that the most plausible mode of action was a reduction in energy assimilation.
Thus, we hypothesised that inhibitor induced increased GJIC between transformed and non-transformed NIH3T3 cells is the most plausible mode of action (Sakamoto et al, 1999).
It would also be helpful to know if these mutations have no effect on IRE1 activation, which would leave effects on substrate recruitment as their most plausible mode of action.
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Fig. 4. Flowchart of the procedure to estimate the most plausible model.
With the aim to predict the most plausible binding mode of the identified inhibitors in this work and to rationalize their structure activity relationship (SAR), molecular docking was performed in the COX-2 active site.
Results from the fits of the five single DEBtox models were compared, with the lowest log-likelihood values taken to represent the most plausible physiological mode of action for each chemical.
The final complex structures were always selected from the top ten lists ranking the energetically most plausible docking modes of each run (according to the above described scoring function).
Consequently, our results indicate that these populations diverged mainly in allopatry, which is generally considered to be the most common and plausible mode of speciation [ 23- 25].
A single model was most plausible for each of the behavioral modes (Table 3), as well as for the combined, non-behaviorally adjusted model (Table 4).
A single model, the vegetation and water resources model, was most plausible for both the encamped and traveling modes, including the non-behaviorally adjusted model.
Two possibilities seem most plausible.
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