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On the other hand, the utilized parameters have to be chosen carefully to retrieve appropriate and accurate results.
The utilized parameters included molecular weight, net charge, isoelectric point, hydrophobicity, surface area, solvent accessibilities, electronegativity, secondary structure composition, surface coils and flexibility among other QSAR descriptors.
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The modelled extinction time (T_{mathrm{ex}}) with (tau^ = 52) (day) is 113.4 (day), which agrees well with the actual value by HRFC in 2016, implying that the utilized parameter values are reasonable.
Several parts of the code utilized parameters to fit the needs that we wanted for our application.
The geochemical model utilized parameters derived from the literature, and it was validated by experimental data obtained by sorption and titration experiments.
While the effective concentration at 50% of the maximum assay response (EC50) remains one of the most frequently utilized parameters for comparison of concentration response data in biochemical assays, it requires a clearly defined maximum effect level.
For this model, vesicle count was the most utilized parameter although other parameters (size and intensity) were collected.
The base case for the model utilizes parameters selected from the literature describing the cellulases of Trichoderma reesei.
All the utilized simulation parameters, e.g. pair interactions between same atoms species, between different atom species and between an atom and a vacancy, were derived from known thermodynamic or kinetic quantities.
The utilized TB parameters are presented in Table 1 in comparison with the values given by Harrison.
The proposed MM approach utilizes parameter adaptation both in the long term and the short term.
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