Your English writing platform
Discover LudwigSuggestions(1)
Exact(1)
The control towers and ancillary buildings of each dock force you to stay alert until the moment you bring your ship in to touch down gently on the centre of the landing pad, when clamps grab the ship and your engines are powered down.
Similar(59)
Figure 6 illustrates the RMSD (root-mean-square deviation) values of the best conformations in respect to the lowest distance from the native conformation of the ligand for each dock.
One challenge in parallelizing AutoDock for a cluster environment is that the program can generate significant network I/O during the loading of grid maps at the beginning of each docking, and when writing log files as dockings finish.
A total of 50 structures were generated at the end of each docking run.
The resulting models of each docking run were clustered with a 5 Å cut-off and the clusters ranked based on the average HADDOCK score calculated over the best four members of each cluster.
The calculation of a score assesses the potential relevance of each docking pose.
At the end of each docking simulation an output file is generated.
We employed the molecular dynamics (MD) simulations to validate the stability of each docking pose.
We previously parallelized the calculation of each docking processes using MPI and OpenMP with the master/worker model (Matsuzaki et al., 2013).
AutoDock reports the best docking solution (lowest docked free energy) for each GA run and also performs a cluster analysis in which the total number of clusters and the rank of each docking mode (cluster rank) are reported.
To compare with the interactions in docking simulation and in representative structures of PKM2 protein complexes after MD simulation, the snapshots of each docking pose were displayed in Figure 12.
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com