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Comment: Good, but just one tiny bit of the problem (Score 5, Interesting) 83

by filthWisard (#18278302) Attached to: Toward a 3D Search Engine
This is a really cool advance when working with molecules you already know the shape of, but it still doesn't get around the problem of what shape a molecule is in the first place. A protein molecule will naturally collapse into the shape with the lowest energy. If there are 100 atoms in the main chain, that's 99 different angles that it could have, that's 99 degrees of freedom. I hear that genetic algorithms are pretty good at finding the most lightly shape though, so this may not be as big a problem as it used to be.

Fools ignore complexity. Pragmatists suffer it. Some can avoid it. Geniuses remove it. -- Perlis's Programming Proverb #58, SIGPLAN Notices, Sept. 1982

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