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It's not a matter of bioinformatic advancement, it's a matter of
computational advancement. That sort of prediction assumes you can
physically compute things like protein folding, binding affinities and
such on a conventional computer, which is not presently possible to a
useful extent.
You can model proteins with computers, but they're not very good at it
and it takes ages to do. You could then try to predict binding
affinities of ligands to the proteins, but doing so would involve
trial-and-error computation and take a long time and be very error prone.
I'm not a computer scientist, but my intuition suggests that this sort
of problem might benefit from quantum computers. So, maybe in our
lifetime we'll have protein structure solvers and protein ligand
predictors that don't suck. But right now empiricism is the only
reliable way.
On 07/08/14 14:26, Mega [Andreas Stuermer] wrote:
> Hm ok. But bioinformatics is not advanced enough to make prediciton on
> ligand binding? I read that these methods are all empirical from previous
> studies
>
--
T: @onetruecathal, @IndieBBDNA
P: +353876363185
W: http://indiebiotech.com
Re: [DIYbio] Re: Bioinformatic tool -> berberine binding to enzymes
8:04 AM |
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