The phrase "a single docking" is correct and usable in written English.
It can be used in contexts related to space travel, technology, or logistics where a single instance of docking is being referred to.
Example: "The spacecraft successfully completed a single docking with the space station, allowing for the transfer of supplies."
Alternatives: "one docking" or "a solo docking".
We have shown here that, compared to simply ranking the poses output by the docking program according to a single docking score, an initial filtering of the docked poses with a pharmacophore query to remove poses that do not form certain essential interactions with the target binding site greatly improves the quality of the results.
Then, a single docking pose with the best total energy score was saved for each docked molecule for the next stage of scoring.
It had a single docking port and two solar arrays.
It weighed 20 metric tons, had a single docking port, and took the form of a stepped cylinder 14.6 metres (48 feet) long, with its widest, rearmost section 4.25 metres (13.9 feet) in diameter.
However, the rapidly growing degrees of freedom make even a single docking event very time-consuming, and make the hopes of implementing IVS a mirage.
Table 2 shows apparent speedups and percent of ideal runtimes for a single docking of the 1HPV complex run as serial mpAD4 code (compiled without OpenMP) or utilizing from 1 to 32 OpenMP threads.
This time Wacom has folded HDMI, USB 2.0, and the power adapter into an all-in-one cable that terminates in a single, dock connector-like input on the tablet end.
A modified consensus method that utilizes only 2 docking programs (AutoDock & eHits) exhibited an improved correlation to 41%, which was better than any single docking method in the set.
This protocol uses a high-throughput docking program to initially orient and score the ZINC fragment-like compounds in the binding site, and subjects the best single docking pose for each docked compound to a rescoring stage in which the ligand is energy minimized and the binding affinity is estimated using an all-atom molecular mechanics force field combined with an implicit solvent model.
The numbers are scaled to a single serial docking run with the default benchmark parameters with modifications: ga_runs = 128, ga_num_evals = 5,000,000.
Although each single docking simulation is sensible to system failure, because typically no partial data are recorded until the computation is finished, the full task is composed of independent simulations, which are singularly performed.
