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. 1975 Feb 27;253(5494):694-8.
doi: 10.1038/253694a0.

Computer simulation of protein folding

M Levitt, A Warshel

Computer simulation of protein folding

M Levitt et al. Nature. .

Abstract

A new and very simple representation of protein conformations has been used together with energy minimisation and thermalisation to simulate protein folding. Under certain conditions, the method succeeds in "renaturing" bovine pancreatic trypsin inhibitor from an open-chain conformation into a folded conformation close to that of the native molecule.

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