QM/MM study of the product-enzyme complex in P450(sub cam) catalysis

Article Abstract:

A study was conducted, with combined quantum mechanical/molecular mechanical (QM/MM) calculations, to examine the enzyme-product complex in P450(sub cam). The result reveals that inclusion of the protein/solvent environment lowers the activation energy for bond dissociation in the doublet state of this complex.

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Internal enzyme motions as a source of catalytic activity: Rate-promoting vibrations and hydrogen tunneling

Article Abstract:

The effect of enzyme motions on the quantum dynamics of the reaction coordinate is investigated. An alternative view that suggest that proteins motions might play a role in catalysis which suggest that at lower temperatures, this enzyme undergoes a transition to a more rigid structure.

Enzymatic analysis

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Response to comment on "Effect of active site mutation Phe93-Trp in the horse liver alcohol dehydrogenase enzyme on catalysis: a molecular dynamics study"

Article Abstract:

According to Warshel and co-workers, one would conclude that there is no dynamic effect of the symmetrically coupled vibration on the reaction and Pauling stated the fact that the enzyme reduces the activation barrier long ago.

Science & research, Research, Erythropoietin, Hydrophobic effect

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