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Various available experimental results, which were obtained mostly for calibration purposes, have been used for computational fluid dynamics (CFD) and computational structural mechanics (CSM) validation and verification, in order to assure that numerical optimization could be carried out with acceptable accuracy.
This conservation pattern has been used for computational modeling of proteins, both manually for checking the validity of a built model (Landau et al., 2007) and automatically for generating a Cα model of transmembrane proteins starting from a low-resolution cryo-EM map (Fleishman et al., 2004a, b, 2006).
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These scenarios are used for computational experiments with the developed model and the industrial models.
The optimized blade geometry is used for Computational Fluid Dynamics (CFD) analysis with hexahedral numerical grids.
An open source code called OpenFoam was used for computational fluid dynamics (CFD) study using computational meshes generated using Shari Harpoon.
Currently, a large amount of data is made available by the pharmaceutical industry and academic research groups that can be used for computational predictions.
We conclude that inequality (12) gives, together with qualitative information, a quantitative result as well and can be used for computational purposes.
These results confirmed robustness and satisfactory predictive ability of the method, hence, it can be used for computational assessment of acute toxicity in new compounds.
Furthermore, Drugscore-PPI was used for computational alanine-scanning of a dataset of 18 targets with a total of 309 mutations to predict changes in the binding free energy upon mutations in the interface.
The comparison of computational and available experimental results shows that the proposed model reliably simulates the surface fatigue crack growth under contact loading and can be used for computational predictions of surface pitting for various contacting mechanical elements.
This way the base material properties of sintered iron hollow spheres were obtained for the first time, which can be used for computational studies of the metallic hollow sphere structures behavior.
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