As I'm studying the A-Level in Biology and have done all the stuff about why proteins fold and hydrogen bonding, here's the stuff about what the program is all about
Get your water molecule, plain old two hydrogen, one oxygen stuff, not heavy water or anything, the stuff that makes up 99.76% of the oceans...
Right, hyrdrogen has an affinity for electrons of one, whilst oxygen has an affinity of two...
This imbalance means that charge is unevenly distributed between the hydrogens and oxygens, with the end result that the molecules all attract each other, and this is responsible for the follwing things:
High boiling point of water, for such a small molecule
High heat capacity
High Latent heat of fission
High surface tension
Anyway, this is all well and good, but the reason this has to do with proteins is that the effect is the same other molecules with this affinity thing... e.g. nitrogen (3) and carbon (4)
Of course, this attraction is quite weak and is easily overcome, but the sheer number of hydrogen bonds means that this is a serious force, and is the thing that forms the shapes of proteins (e.g. enzymes get their shape from hydrogen bonding)
So, the hydrogen bonding is responsible for the 3D shape. This is the important bit. Things like enzymes work by having the exact correct shape for the thing they speed up, hence increasing surface area to work on. They do not work on other things, they are
specific. Hence a single incorrect molecule could result in disaster for a whole organism... disorganising the bonds and changing the shape (this is the way inhibitors work btw)
These molecules make up amino acids, which make up proteins. Last time I heard, there was a billion billion atoms in a full stop. That's a whole lotta bonds to crunch through !!!
Oh, I forgot to mention things like covalent bonding because AFAIK they don't influence the 3D shape too much....
So the integer work will be fairly intensive. However, the fact that the hydrogen bonding occurs in 3D indicates a bit of a swing to the FPU...
Don't forget that this application is probably more optimised for processors like the P3 and Athlon...
Overall, I reckon the program is more optimised for "legacy" processors, but the Athlon's rather powerful FPU does it no harm whatsoever...
Equal clocked P3 vs. Athlon could be interesting...
Don't think that I'm claiming to be an expert in Biology, because I'm not, but thought you might like to know what its all about,
IntelMole
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). Although now that there's some viable alternatives to VIA it would be nice to see AMD making more inroads to the corporate environment.
So...now It's doing something useful.
