Can/should FAH help with drug screening?

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Can/should FAH help with drug screening?

Postby bruce » Wed Feb 18, 2015 8:52 pm

Is there any overlap between Folding in-silico and drug screening In-Silico?
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Re: Can/should FAH help with drug screening?

Postby Jesse_V » Wed Feb 18, 2015 9:05 pm

I've long considers drug screening one of F@h's greatest potentials or uses, and I was under the impression that it was used at least in a small degree for this purpose. F@h is a tremendously powerful computational resource, and it's likely far cheaper to ensure that your drug candidate works in a simulation than it is to go through all the hassle, cost, and regulations of testing it live. The parallel nature also makes it faster to test many drug candidates at once, rather than testing them one at a time.
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Re: Can/should FAH help with drug screening?

Postby JimF » Thu Feb 19, 2015 2:45 am

AutoDock and Vina are the type of thing they do on BOINC (World Community Grid, among others), where the evaluations are more or less independent of each other. I was under the impression that the highly structured and sequential nature of the Folding work necessitated quite a different approach. I don't know that Folding has anything in particular to offer them, and vice-versa. They seem to be two different things.
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