Hi i was thinking about the way this works.
Basicly it uses a chemical discription and then it uses all kind of form shape shifting to see what is the lowest level energy form.


However...
It seams to me that these structures are not build at once in nature. Like we calculate them at once, no most of them are build by nature, adding bits to parts, that is thier assembly path.

So..
If we understand the main players in these, then wouldnt it be more simple to simulate how parts are added and then look how the end products look like ?

This might possibly require less (to me) random shape shifting. Rather a staged building assembly line to get the final product. Where is the assembly line is a simulated master (lego) peace, which we simulate.


well just a thought

It is a good question Peter.

To restate your question:
Does N-terminus fold first? There are several replies in that thread from the Project Scientists.

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Rosetta Moderator: Mod.Sense

Peter

I believe Folding@Home works more similarly to your description. However, simulating the folding process requires a massive amount of processing power, and I would expect that any error along the way, or minor cumulative errors collectively might result in the results being incorrect.

R@H is an attempt to take a shortcut straight to the final structure without paying attention to the process required to get there. This massively reduces the CPU power required and so one of the project's aims is to make the structure prediction possible with minimal CPU resources (i.e. a single or a few computers rather than tens of thousands as are currently required).

Danny

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