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On the other hand, DZP at 50 M increased the latency for scores 4 and 5 (Fig

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Harmonic restraints of 50.0 kcal mol 1 2 were applied to the solutes, including the crystallographic ions, to allow solvent relaxation while preserving the maximum fidelity to the docking pose, and the Andersen temperature coupling scheme 81,82 was used to control and equalize the temperature

The denatured proteins were then loaded onto either a 10% or 12% SDS-polyacrylamide gel for electrophoresis and later blotted onto polyvinylidene difluoride (PVDF) membranes