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- W2054865135 abstract "Attempts to predict molecular structure often try to minimize some potential function over a set of structures. Much effort has gone into creating potential functions and into creating algorithms for minimizing these potential functions. This paper develops a formalism that addresses a complementary question: What are the accuracy requirements for a potential function that predicts molecular structure? The formalism is applied to a simple model of a protein structure potential. The results of this calculation suggest that high accuracy predictions (∼1 Å rms deviation in α-carbon positions) of protein structures require monomer–monomer interaction energies accurate to within 5% to 15%. The paper closes with a discussion of the implications of these results for practical structure prediction." @default.
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- W2054865135 date "1994-04-15" @default.
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- W2054865135 title "When is a potential accurate enough for structure prediction? Theory and application to a random heteropolymer model of protein folding" @default.
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- W2054865135 doi "https://doi.org/10.1063/1.467114" @default.
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