Sentence examples for bond scoring from inspiring English sources

Cα RMSD was used qualitatively to monitor backbone deviation from the ideal hairpin structure in conjunction with the hydrogen bond scoring function to determine promising designs.

halogen bond scoring function.

The newly derived halogen bonding scoring function is compared with the Vina scoring function using a set of 106 protein-halogenated ligand complexes.

In this study a new and improved halogen bonding scoring function (XBSF) is presented along with its implementation in the AutoDock Vina molecular docking software.

Bonds scored the game-winning run later that inning.

Another Sea Kings score tied it at 14, but Bonds scored on a 12-yard option run for the 21-14 lead.

In the HINT model each atom-atom interaction is categorized as one of the following: (Lewis) acid-base (or the special case of hydrogen bonding) – scored favorably; acid-acid or base-base – both scored unfavorably; hydrophobic-hydrophobic – scored favorably; or hydrophobic-polar – scored unfavorably.

Thus, we only explain the calculation of bond scores.

Another normalization aspect concerns the calculation of the bond score s b.

Hence, the presented calculation of bond scores can be easily transferred to atoms if needed.

This weight distribution lowers the influence of large fragments on the bond score s b.