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Interfacial cavities
Figure 6.
A GRID energy map was calculated for a water probe inside the yellow box. The contoured regions show the most favourable binding regions for a water molecule within the box (with an energy lower than -5 kcal/mol). Substrate analogues were designed to fill the region adjacent to the camphor oxygen [5].
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Wade et al. (1996) Fundamentals of Enzyme-Ligand Interactions in
Cytochrome P450cam
POPE5 Conference Proceedings
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