On Fri, 5 Dec 2008, Lux, James P wrote:
Now consider using that nifty compchem box to go examine thousands of possible drugs.
I don't think that this is the main purpose of the DEShaw machine. Thousands of independent trials can be done today with thousands of machines: f.e. one trial per machine, much like Monte Carlo calculations. Machines like the DEShaw one are useful in 2 cases: - simulating a much larger system, getting to the point of simulating whole cells or at least mitochondria - simulating a much longer period of simulated time in the same real time, as processes of biological interest happen on timescales that are many orders of magnitude larger than what can be currently simulated.
In each of these cases there is only one simulation running - a very fine grained one...
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