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To ensure the implementation of the docking procedure, several engineering constraints such as control input saturation, collision avoidance, velocity constraint, and dock-enabling condition are considered simultaneously.
Examples of successful implementation of the docking simulations can be illustrated by the studies of novel multi-target compounds for neurodegenerative diseases (Table 1).
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The visualization module has been evaluated by doing a prototype implementation of vizualising the docking of an Autonomous Underwater Vehicle to a docking station.
The results obtained may be a good proof of concept for implementation of molecular docking to calculate model complexes of proteins with (bio polymers of 6.4 105.5 kg/mol.
The implementation of docking on a cloud computing platform is then discussed.
TS, SS and MO performed the MIC implementation of protein-protein docking.
Both docking scores were within the standard error of the docking program suggesting similar binding affinities.
The reliability of docking results strongly depends on the quality of the docking methods.
For comparison and validation of the docking algorithms, docking simulations were performed also with palmitate.
The size of the docking grid was selected to cover the entire docking molecule.
Docking experiments for the same targets were performed to check reliability of the docking scores.
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