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Use of Geometrical Docking Algorithm to Explore Species Specific Differences in Proyl-tRNA Synthetases
Prolyl-tRNA synthetases belong to a class of enzymes that play a pivotal role in the protein synthesis. These enzymes are responsible for attaching the amino acid, proline, to the 3’ end of the prolyl-tRNA. The structures ...
Calculation of Binding Free Energies of NAD(P)H:Quinone Oxidoreductase 1 Inhibitors
NAD(P)H:quinone oxidoreductase 1 (NQO1) plays a key role in cellular defense in humans. It is known to reduce quinones to hydroquinones, inhibiting their ability to become a free radical semiquinone state, and cause cellular ...
Investigating Structure-Dynamics-Function Differences Among Various Species of Proyl-tRNA Synthetase Using a Hybrid QM/MM Computational Technique
All living organisms contain amino-acyl tRNA synthetases (AARSs) ‒ a family of enzymes critical for protein synthesis. They are responsible for the covalent ligation of proline to its specific tRNA molecule, called tRNAPro, ...