Sentence examples for docking procedure from inspiring English sources

The manual docking procedure was performed in accordance with the proposed mechanism of C deamination38.

When refuelling, drivers must complete an automatic docking procedure between nozzle and tank.

The docking procedure itself was complex, and it was so breathlessly anticipated that Chinese reports made a point of managing expectations.

However, the docking procedure was not able to discriminate the experimentally confirmed antagonists as active (best docking score obtained for proflavine hydrochloride equal to −6.71 kcal/mol).

The molecular docking procedure was performed using Glide software22,23 with XP scoring functions with a rigid protein and flexible ligand.

To test the reliability of the docking procedure, all the co-crystallized ligands were first docked into the corresponding crystallographic structure using the Extra Precision (XP) Glide algorithm.

Interestingly, the molecular docking procedure predicted both compounds (best agonist calcipotriol and best antagonist proflavine hydrochloride) to share almost the same binding pocket (Fig. 4b).

The Surflex-Dock algorithm in SYBYL software was used for the molecular docking procedure, which offers the fully automated docking of flexible ligands to protein binding sites62.

Other parameters were adopted by default values in the Surflex-dock and no constraints were used for the molecular docking procedure.

An automated docking procedure was performed on these variants with transition state analogues (TSAs) for the hydrolysis reaction.

As a result, some hit compounds were introduced as final candidates by employing virtual screening and molecular docking procedure simultaneously.