Journal article

Assessment of some problems associated with prediction of the three-dimensional structure of a protein from its amino-acid sequence.

AW Burgess, HA Scheraga

Proc Natl Acad Sci U S A | Published : 1975

Abstract

It is shown that most present empirical prediction algorithms provide information about the conformational states of individual residues, but give little information about the three-dimensional structure of a protein. It is necessary to predict the conformational state of every residue before the resulting structure can serve as a starting conformation to compute the native structure. It is also shown that even a perfect five-state algorithm (which does not include long-range interactions from disulifide loop closing or solvation) will not lead to a globular structure resembling the native one. However, starting from the results of a perfect prediction algorithm, it appears that conformation..

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