Entering edit mode
5.9 years ago
superaude
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0
Our group has measured Kcat on a WT enzyme and 28 single-AA substitution variants. How would one go about using this information to predict the effect of other mutations on its activity?
For context, I'm a statistician and have just recently joined the group. I've seen a bunch of server blades in the backroom so I'm assuming we have the resources to attempt most computational+statistical methods.
From my initial review of the literature, sequence-based methods require a much larger sample size and structure-based methods would give us physicochemical properties of the enzyme-ligand complex. From that, we could predict activity, but I don't see how our in vitro data could be added to refine the prediction.
