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Software DOxL

DOx
 

 

DOxL is a simpler and faster version of DOx which is used to dock a given molecule within a pre-defined region of the docking site. DOxLdiffers from DOx in that DOxL only attempts to optimise the position and orientation of a given molecule within a small box (typically a volume of around 8 Å3) containing its centeroid. DOxL therefore does not attempt a full docking, but optimises the positioning of a molecule against a selected scoring function. The current version of DOxL can use either the PLP or XScore scoring functions.