Sentence examples for binding energies were calculated from inspiring English sources

O2 and H2O binding energies were calculated for all the catalysts.

Twenty-four oft of 200 models were selected and refined with the FoldX software [34] to eliminate van der Waals clashes, and the theoretical binding energies were calculated.

For each DREAM4 domain, the binding energies were calculated for three sequence groups: random sequences, random sequences with PxxPxR and RxxPxxP motifs, and sequences generated from the DREAM4 gold standard PSFM.

Specifically, a peptide was mutated into poly-alanine, and then alanine at each position was mutated into one of 19 amino acids and their binding energies were calculated using the PositionScan module in FoldX.

However, significant differences in free binding energies were calculated for the Chromo domain of Su Var)205/H3K9me3 and the 3xMBT domains of L3MBTL1/H4K20me1 interaction pairs.

Single point and binding energies were calculated also on the triads γGlu47-Arg75-Arg184 (withoutd without Ca2+), extracted from ONIOM optimized structures at the B3LYP/6-311++G d,p) level of theory.

High binding energies are calculated for the protonated amino acids.

Binding energy was calculated by applying CHARMm forcefield.

According to the Al Kα X-ray photon energy (1486.6 eV), the AgM5N5N5 binding energy was calculated as 1133.8 eV.

The substrate binding energy was calculated and the electrostatic energy was found to be the most important term for binding.

The binding energy was calculated based on ΔE = E ZnO + E HCHO E HCHO-ZnO, where E is the total energy.