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Molecular modeling computations were utilized to generate pharmaceutical grade CYP3A4-enzyme inhibitors.
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The modeling computations are in quite good agreement with the experimental measurements.
Comparison between trends in effects of rotation rate, chamber pressure and reactant flow as obtained from experimental growth results and modeling computations is reported.
In this review, excerpts from the literature of thermobaric (TBX) and enhanced blast explosives (EBX) that are concentrated on studies that include their compositions, properties, reactive metal components, modeling and computations are presented.
The computations were carried out in a second-moment turbulence modeling framework using a finite-volume technique.
Computations were performed at the Stanford Research Computing Center.
All computations were performed in Matlab.
All computations were implemented in MATLAB.
Hypergeometric distribution computations were implemented in Perl.
All computations were completed using STATA v10.0.
The computations are made feasible by two important modeling ingredients: an equilibrium wall-model and a flamelet-based combustion model.
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