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This allows assessing the power of different data types, data densities and data locations in identifying the best model structure from among a suite of plausible models.
Finally, the kinetic laws, i.e., the dependencies of the reaction rates on concentrations, are constructed by selecting the best model structure from a set of model candidates.
For the 10,000 docked models, we calculated the root mean square deviation (RMSD) of Cα atoms of each model structure from the native complex structure (1j8h).
As a consequence, the two compartments were combined together changing the compartment model structure from mammillary to catenary.
This is achieved by separating the optimisation of the model structure from the optimisation of the parameters.
The identification of these unknown parameter with fixed model structure from observations is one of the central issues of computational systems biology [ 8].
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Model structures from the top five families were obtained from the alignments with the top scoring member of the family.
To this end, we take the idea of the K2GA algorithm (Larranaga et al., 1996) to learn model structures from haplotype data, as described below.
del Conte-Zerial et al. [ 15] consider a different set of functional forms for modeling each of the four (GEF and GAP) interactions; the combinations of the different functional forms they consider result in only 54 different model structures from the possible 126.
For example, ill-conditioning can be related to the lack of identifiability arising from the model structure, and/or from information-poor data.
The kinetic properties of the new putative enzymes are discussed on the basis of their three-dimensional model structure, built from the crystal structures of C. rugosa lipases.
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Justyna Jupowicz-Kozak
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