Sentence examples for calculations to test from inspiring English sources
We use molecular dynamics simulations and continuum electrostatic calculations to test two models of the allosteric mechanism.
Periodic slabs with surface areas of 13.86 Å2 (1 × 1) and 124.76 Å2 (3 × 3) were used for the surface model calculations to test the effect of increasing the surface area on the predicted structures.
In addition, we performed power calculations to test the validity of our results.
In this work, we combine DLW high-end fabrication with nanosecond transient absorption spectroscopy and density functional theory (DFT) calculations to test a series of different PIs.
(4) Verification and optimization of MeSH term weighting and dissimilarity score calculation To test whether the actual quantitative value in the MeSH term dissimilarity measure is indicative of the relationships of the two selected genes, the ROC analysis was applied [ 23].
Extensive calculations were to test the accuracy and robustness of the present real gas Lagrangian approach, including complex wave interactions of different types.
Kubicki and Apitz [69] later used the Leenheer model to predict equilibrium structures through classical molecular mechanics and quantum calculations and to test the effect of the specific computational methodology on the structures obtained.
The results from CORAL set 1 motivated a second, more extensive set of calculations designed to test the idea that the CTDUF mimics the type A PutA dimer interface (CORAL set 2).
In addition, density functional theory (DFT) calculations conducted to test the interactions between H55 and heme-bonded CO or O2 provide us with a quantitative comparison in the energies of different tautomers of H55 in CO and O2 adducts.
Using thermal analysis of radiometer construction, we built a transient calculation model to test thermal control coatings' solar absorptance.
Such a simple modification of the formalism in our calculation enables to test a completely novel device structure, which demonstrates another capability of our model, namely its flexibility and extensibility.
