Sentence examples for property calculation from inspiring English sources

The change in p Ka between carbamylated and unmodified lysine residues and N-termini were calculated using Marvin (http://www.chemaxon.com/marvin/sketch/index.php), a widely available chemical visualization and property calculation tool (Marvin 14.7.7, 2014).

Fig. 2 Continuous property calculation and its histogram Fig. 3 Discrete property calculation and its count matrix.

Moreover, the property calculation methods can be divided into a number of different categories.

The CO2 property calculation is based on IUPAC correlations (Augus et al. 1973).

The physicochemical parameters and drug-likeness were computed employing the Molinspiration online property calculation toolkit and MolSoft software.

The next step after selecting the contents of each pseudo-component is choosing the property calculation method.

kij has very clear effects on the calculating accuracy of an EOS in the property calculations of CO2-mixtures.

Counterions were removed, and the base structure was neutralized where possible (except for quaternary ammonium salts) in AP. 2D structures were converted to 3D using Schrodinger/LigPrep. 3D structures were used for property calculations in the three molecular modeling packages listed above, even though some property calculators require only the topological information.

Every gentry estate was an intricate construction of property calculations — on which, as Cantor puts it, the Black Death "fell like a tornado".

Anti-plane property calculations are carried out for BaTiO3/CoFe2O4 composite.

In order to enhance the accuracy of the viscoelastic material property calculations, a pseudospectral analysis method was employed.