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PRANK is a machine learning method which is based on predicting ligandability of specific pocket points near the pocket surface.
Thus PRANK utilizes only points in a relatively short belt around the pocket surface as the bonding between ligand and protein takes place in this area.
During machining, cutting forces exerted on a toolholder may cause its shank to deflect and impact on the spindle pocket surface.
In the present work, the specified triangular pocket cavities are built in a high aspect ratio channel and heat transfer and fluid flow over the pocket surface are investigated experimentally and numerically.
However, the pocket cavity with the larger fillet radius can reduce the peak heat transfer values but increase the overall averaged heat transfer value of the pocket surface with weakened strength of the recirculating flows.
It takes averagely 1 3 minutes for binding sites detection, and the potential binding sites can be interactively viewed and downloaded in PDB files for off-line analysis, which includes the binding pocket surface, the residues around the site, and key features of the pharmacophore model derived from the site.
Similar(51)
Liquid Crystal Thermography (LCT) is employed to measure heat transfer over the pocket surfaces at Reynolds number ranging from 87,600 to 219,000.
Pockets of 9 COX enzymes were compared to 14 human PPARα binding pockets and the method identified high similarity of pocket surfaces between proteins with the PDB codes 2rew (PPARα receptor) and 3rr3 (COX-2 enzyme).
Sculpturally, Rodin possessed a unique ability to model a complex, turbulent, deeply pocketed surface in clay.
Finally, a comparison of the apo- and holo-SitA structures showed that most of their pockets, surface-exposed tunnels and cavities are conserved.
Then it began to shrink, which the researchers attribute to fracturing of the pocket's surface and flow of lava back into the volcano.
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