Para-hydroxybenzoate hydrolase

The great potential of QM/MM calculations has attracted much attention in the past decade and the number of studies published in recent years is now so large that it is not possible to cover them all here. Among recent QM/MM applications at different levels are para-hydroxybenzoate hydrolase [56, 74], citrate synthase [4-6, 52], uracil-DNA glycosylase [88], neuraminidase [89, 90], aldose reductase [91], human thrombin [92], glutathione S-transferases [57], and HIV protease [93]. 

Figure 1. Schematic representations of protein structures (a) myohemerythrin, an a-helical protein with antiparallel helices ( >) V2 domain of an immunoglobulin, a (3-sheet protein (c) triose phosphate isomerase, a parallel a-ff protein with a central (3 barrel (d) carboxypepti-dase, a parallel a- 3 protein with a central ( -sheet structure (e)para-hydroxybenzoate hydrolase, a complex protein structure with more than one domain. (From Ref. S3 courtesy of J. Richardson.)...

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