Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of <b><i>β</i></b>-Secretase

<table>Computed barriers for the WT- and SW-substrate using pruned models (with the DFT method) and entire protein (with the ONIOM (QM/MM) method).</table>

Scientifica

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Figure 4

Figure 4: Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of <b><i>β</i></b>-Secretase 

Figure 4 | Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of β-Secretase 