it's problematic trying to model a whole cell. some of the larger protiens are very complex and it can take a super computer days or weeks to reasonably accuratly model their behaviour.
A whole cell will have many many large protiens along with a lot of other large complex molecules.
most full cell simulators are just large state machines, they don't model the individual molecules but rather the levels of substances which promote or inhibit the production of others.
On Tue, Mar 5, 2013 at 2:34 PM, Eugen Leitl <eugen@leitl.org> wrote:
On Mon, Mar 04, 2013 at 09:38:24PM -0800, Koeng wrote:You don't know what you ask for. The fastest thing on Earth for
> Although I was kinda wondering about cell simulation on the molecular
> scale... Like a program that folds proteins inside a simulated cell and all
that should be currently http://en.wikipedia.org/wiki/Anton_(computer)
and it's limited to short times (17 us) and reasonably
small systems (23 kAtoms).
A nice package to play with is VMD/NAMD http://www.ks.uiuc.edu/Research/namd/
which also has GPGPU support (you're probably got to need that,
unless you've got a few kNode Beowulf in your basement).
You can say that again. And MD is a very high level of theory,
> the chemicals react with each other and this stuff. I think this would take
> too much computing power though
things turn awful fast as you reach down.
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