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It is concluded that blind docking can be used for unbiased mapping of the binding patterns of drug candidates.
For Cytochrome P450s, the center of docking can be automatically assigned according to the position of the heme domain atoms [21], otherwise it can be defined manually.
Scoring functions for molecular docking can be grouped into three major classes according to how they are derived: force field-based, empirical, and knowledge-based.
A detailed review about scoring functions for protein ligand docking can be found in a recent review (Huang et al. 2010).
However, it has already been reported that more accurate partial charge calculation and as a consequence, more accurate docking can be achieved by using quantum chemical methods.
It is generally established that docking can be reasonably successful at generating good poses of a ligand in an active site.
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The floating dock can be towed to the site, moored, and made ready for operation in a comparatively short time.
The dock can be charged and then moved from room to room, running off its internal battery.
Much of the lakes' shores are controlled by the Army Corps of Engineers, which limits where docks can be, but there are numerous public launches in the county.
Similarly, the areas around the loading docks can be hardened to limit the impact of a truck-borne explosive on the rest of the structure.
A floating dry dock can be moved at relatively short notice to another site, should a long-term change in shipping-traffic patterns dictate a change.
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