Sentence examples for poses calculated from inspiring English sources

Because the number of key poses calculated from energy-based method is closely related with numbers of motion cycles.

Distances [in Å] and angles [degrees] calculated for the highest ranked docking poses calculated for cyclohexene oxide in the WT, SZ502 and SZ503 homology models of LEH.

The similarity in geometry of the docked pose to the original was assessed in terms of RMSD of the position of the backbone C and N atoms of two poses, calculated using MOE [37].

Then the measurements for the camera pose calculated using EPnP are used to refine this prediction for updating the filter, and the state is used for the viewpoint of augmentation.

HO-2 was found to bind to the monomeric form of adiponectin, according to poses and calculated energies.

The binding affinity of the highest scored docked poses was calculated and correlated with experimentally measured Ki values.

Ten poses were calculated for each guest and the binding energy, which describes guest affinity for the active site pocket, was calculated for each molecule's pose.

The generated conformation of ligands was docked into the defined binding site of BACE1; the ligand poses were calculated by various scoring functions including -PLP1, -PLP2, and -PMF.

After the docking parameters were set, the crystal pose of donepezil was first re-docked into the binding site pocket of AChE, and the root-mean-square deviation (RMSD) values between the docking and initial poses were calculated.

The Kipred values for analyzed docking poses were calculated from the ΔG parameters as follows: where R (gas constant) is 1.98 cal*(mol*K −1, and T (room temperature) is 298.15 Kelvin.

The Kipred parameters for all the docked poses were calculated from the ΔGbind values as follows: where R (gas constant) is 1.98 cal(mol*K −1, and T (room temperature) is 298.15 Kelvin.