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Molecular and Cellular Modeling
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Binding enthalpies
Binding enthalpies
Figure 9.
Comparison of binding enthalpies computed from molecular dynamic
simulations (filled bars) and measured experimentally (unfilled bars)
for the binding of camphor (CAM) and the camphor analogues (CEN, CEP amd
CAL) to wild-type cytochrome P450cam and the Y96F mutant [5].
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Wade et al. (1996) Fundamentals of Enzyme-Ligand Interactions in
Cytochrome P450cam
POPE5 Conference Proceedings
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