Sentence examples for binding energy and binding from inspiring English sources

Raha and Merz used semi-empirical QM based scoring function for predicting binding energy and binding mode of a diverse set of protein-ligand complexes [22].

Finally, the binding energies and binding entropies of the substrates were estimated according to the method developed by Tirado-Rives et al. (Tirado-Rives and Jorgensen 2006) using the same reference geometry as for the enzyme without substrate (with active site residues minimized in 12 Å radius from the Tyr OH group).

The logarithm of the free binding energy and the binding residues is shown in Table S2 (Supplementary data).

The definition of binding energy and the binding energy of single Li atom at different adsorption sites on selected repeating unit can be found in Supplementary Fig. 15.

The carboxylic acid group enters into co-ordination with the cation, increasing the binding energy and hence the binding constant.

Amongst all the compounds studied, albendazole and methyl-substituted chalcone showed the lowest binding energy and occupied binding pocket near to substrate binding site of GST.

Lattice binding energy, surface binding energy and displacement energy for Ag were considered as 3, 2.97 and 25 eV, respectively.

Since smaller ruthenium particles have higher binding energy and larger particles have lower binding energy [26].

High resolution XPS spectra of N1 s binding energy and O1s binding energy in PS-b-P2VP-b-PEO with and without LiCl were shown in Fig. 10a, b.

In addition, the electrostatic potential binding energy and similarity between the binding sites can be calculated based on the binding pose of the ligand.

Whereas PharmDock provided a high Pearson correlation coefficient between the estimated binding energy and experimentally measured binding affinities compared to other programs, the overall binding affinity prediction is still not accurate enough for drug optimization purposes.