Quote:
Originally Posted by CraigS
I'll bet someone comes up with a super computer-based complexity model one of these days, though Bert .. maybe even in our lifetimes (fingers crossed).
I guess what's missing at the moment are more of the basic interactions .. like the hydorphobic/hydrophyllic behaviours recently uncovered (??)
Cheers
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We molecular biologists have been dealing with hydrophobic and hydrophilic interactions for years. One of our theoretical chemists was simulating protein enzyme and target molecule interactions at the QM level in silico (computer simulation). It takes weeks of super computer time to calculate a few nS of interaction in three dimensions. It seems the best simulation of these molecules are the molecules themselves and they even 'know' about QM!
Bert