The assessment of the HOMO and LUMO orbital interactions at the catalytic site and the spirostans, for each CHK, showed a trend that favors the interactions of the HOMO of the protein to the LUMO of the Sp ( Figure 7 ), except at the Glu and Asp residues in both cases, denoting that in both enzymes its site is highly conserved.
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Correlation between Molecular Docking and the Stabilizing Interaction of HOMO-LUMO: Spirostans in CHK1 and CHK2, an In Silico Cancer Approach.
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