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Note: a The scoring function used by MolDock is derived from the PLP score and has a new term for hydrogen bonds and new charge methods [20] b Rerank Score is a linear combination of E-inter (stereo, van der Waals, hydrogen bonding and electrostatic) between the binder and the protein, and E-intra (torsion, sp2-sp2, hydrogen bonding, van der Waals and electrostatic) of the binder corrected by pre-defined coefficients [20] c Energy of the total interaction between the pose and the protein d Energy of interaction between the pose and the prosthetic group e Energy of the pose f MolDock Score divided by the count of the heavy atoms g Rerank score divided by the count of the heavy atoms The MolDock score found for NAB (-86.74) and NAT (-82.86) at the P450 binding site was favorable for the ligand receptor interaction, as it favored the molecular stability of the system

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American Journal of Medical Genetics

citizen, Alex Pretti, just weeks later sparked outrage across the country and calls to rein in immigration enforcement