Computer Modeling of Chemical Reactions in Enzymes and by Arieh Warshel

By Arieh Warshel

This functional reference explores machine modeling of enzyme reations--techniques that aid chemists, biochemists and pharmaceutical researchers comprehend drug and enzyme motion.

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It should also be pointed out that the arithmetic average of AH and AL, at least for the bulkier carbenes, is roughly equal to the Tolman cone angle of the two phosphane ligands used in the study. It is also interesting to note that for N-aryl substituents the AL value largely depends on the para-substituent and the AH value on the ortho-substituent (o-tolyl would have the same AH value but a smaller AL value than mesityl). These parameters did not gain widespread recognition within the carbene community and in 2003 Nolan et al.

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