User:Pakpoom Subsoontorn/Notebook/general reading/2008/10/29

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Kemp elimination catalysts by computational enzyme design Insert content here... outline Computational Design Choose catalytic mechanism, create idealized active-site carboxyl group of aspatate or glutamate imidazole, position and polarized by carboxyl group of aspatate or glutamate (His-Asp dyad) H-donor group to stabilize phenolic oxygen (Lys, Arg, Ser, Tyr, His, water or none) π-Stacking interaction for charge delocalization (Phe, Tyr, Trp) RosettaMatch hashing algorithms