User:Pakpoom Subsoontorn/Notebook/general reading/2008/10/29: Difference between revisions
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== | ==Kemp elimination catalysts by computational enzyme design== | ||
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==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 | |||
Revision as of 00:53, 30 October 2008
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Kemp elimination catalysts by computational enzyme design
outline
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