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The Seventh Regiment Armory has functioned as a glorified loading dock for all kinds of shows, coming and going, with specialty items like the International Asian Art Fair and the Tribal and Textile Arts Show generating serious incandescence.
It's a 42-inch TV with an iPod dock for all your multimedia needs.
MacWay feels that pain and has released the i.Sound MovieTime Universal (lamest name ever) dock for all the aforementioned players.
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The number of molecules docked for all three settings were rather similar, i.e, (sim) 0.8 million.
The roc area calculated for docking is 0.84. Figure 5a gives the enrichment plot of e- pharmacophore III, ROCS and Glide XP docking for all the 1035 database molecules.
Best to stay out of the dock for a while.
Is there room in the dock for a fresh set of culprits?
"That means that your stuff may stay on the dock for a period of time.
Curated protein structures, docking grids, complete list of Docking Scores, and docking poses for all compounds are available upon request.
The F1 score which is the harmonic mean of precision and recall, was computed (using a Python script, see Additional file 1) for all the docking scores of the ChEMBL actives and PubChem inactives for each model.
For docking studies all the ligands were energy minimized in the Macromodel minimization panel using the OPLS-2005 field field and GB/SA water model with a constant dielectric of 1.0.
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