Prediction of enzymatic activity based on common genetic variation.
Hi Dominik Aschenbrenner
I am not an expert but I share some thoughts only.
I don't there is some tools that predict enzyme function after mutagenesis.
One must have a prior idea before mutating the gene as the sequence space is too big.
One can use Transition state modeling to model the reaction. Molecular dynamics simulation is an option but it's a tedious process.
If you're mutating only one AA, you can try Docking to see how the new enzyme fits into the complex.
Hope it helps.
Let me updated if you could have any good fortune on that.
Hi Quallid,
thank you for your response. I have been looking for some publicly availbel programs and have come accross this one:
http://biosig.unimelb.edu.au/kinact/prediction
It appears very promising but I think this approach does overestimate activating functions. Any similar approach that would allow a comparison would be very helpful to know about.
Best wishes,
Dominik
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