Sentence examples for binding energy from the from inspiring English sources
The predicted binding energy from the dockings provided a ranking of the compounds, which was compared to the known actives using two measures.
Interestingly, the binding energy from the GlcNAc falls into two distinct categories.
In an off-lattice simulation, one should be able to obtain the binding energy from the potential energy surface; in lattice-gas models this is not possible and the binding energies should be taken from some external source.
Our proton inventory data provide evidence that depending on the chemical structures of the SAHA analogues, HDAC8 exhibits the potential to extract different magnitudes of binding energy from the different regions of the ligands.
Telling and Heggie have reviewed the literature upon stacking faults on the basal plane of graphite and pointed out that, although the binding energy from the van der Waals forces between the graphene layers is of the order of 35 meV/atom, the basal plane is prone to stacking faults and readily accommodates basal dislocations.
While the SiO2 signal is expected to be shifted 3.45 eV towards higher binding energies from the main Si 2p peak, the substoichiometric SiOx signal is located between 1 and 2 eV below that for silicon dioxide [27].
The ranges of binding energies from the literature for m-ZrO2 [42, 43, 44] 44] and t-ZrO2 [41, 44, 45, 46, 47] 47] are depicted by the shaded green and yellow bands, respectively.
The computed binding energies from the DFT + MBD method are consistently smaller than those from the pairwise-based van der Waals (vdW) inclusive method, such as DFT + vdW, due to the accurate capture of both electrodynamic screening and many-body effects in the former case.
Comparing binding energy predictions with 229 experimentally determined binding energies from the Ligand-Protein Database (http://lpdb.chem.lsa.umich.edu) (61), R osettaL igand achieved an overall correlation coefficient of 0.63, which is comparable to the best scoring functions available for protein−ligand interfaces (62).
We estimate the precision in the determination of average electron binding energies from this method to be within the range of the Gaussian standard deviation.
