Sentence examples for basis of binding energy from inspiring English sources

These results have provided an insight behind antimicrobial activity on the basis of binding energy.

Six novel potential QS inhibiting compounds were selected on the basis of binding energy.

The relative stability of clusters was discussed on the basis of binding energy per atom, fragmentation energy, and second-order difference of cluster energies.

Stability of these complexes was extensively analyzed on the basis of binding energy that disclosed substantial tenacity of enzyme substrate complex at optimum temperature.

The clusters having more than 100 conformations were further selected on the basis of binding energy.

After complete execution of AutoDock, various conformations of ligand in complex with the receptor were obtained, which were finally ranked on the basis of binding energy.

The best conformations were selected on the basis of combination of binding energies as well as location of the docking.

The interaction parameters were determined in term of binding energy of complexes and the geometry optimization, frequency of the structures and calculation of binding energies using density functional approaches B3LYP and the 6-31G d,p) basis set.

For every ligand-macromolecule docking a total of 10 different conformations were generated which later were analysed on the basis of their binding energy and force of attraction.

A total of 80 method/basis set combinations were examined through the analysis of binding energies of the gas molecules (CO2 and N2) with various nitrogen containing aromatic frameworks.

Silicon fullerenes on the basis of their binding energies are, in fact, very stable [6 9, 40] and isolobal to the corresponding isovalent carbon fulleranes, as is indicated in Figure 10. Figure 10 An illustration of the Si and C fullerenes analogy.