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Fresh fuel validation is typically done by modeling experiments from the "International Handbook".
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The same 85% training datasets were used within the model-building process for all models, while the 15% testing datasets was withheld completely from the modeling experiments to evaluate the predictive accuracy of the models post hoc.
Chit42 variants with altered substrate specificities were created based on the obtained enzyme substrate interaction data from modeling experiments (Lienemann et al. 2009).
Using the numerical values extracted from the modeling experiments, we can define the swarming fitness of a bacterium (see methods).
Taken together, the results from our modeling experiments show that mtRF1 contains a blocked stop codon binding site as a result of several conserved changes when compared to its closest paralog mtRF1a.
However, at present molecular modeling experiments done on modeled enzyme structures should be interpreted with caution.
STB participated in design of modeling experiments, developed the model, performed the modeling experiments, assisted in interpretation of the modeling results, and helped to draft the manuscript.
Although ATA is structurally distinct from sialic acid, molecular modeling experiments suggested that ATA binds to NA at the enzyme's substrate binding site.
Furthermore, as the modeling experiments are in agreement with results obtained from the in vitro studies, this demonstrates that modeling is a powerful tool when identifying potential endocrine disruptors.
All conformational molecular modeling experiments were performed using the SYBYL v7.0 software from Tripos Inc. (St . Louis MO) on a Silicon Graphics workstation.
The modeling experiments are such that can be done with the model, which is fully continuous.
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