Computational method and apparatus for predicting polypeptide aggregation or solubility
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United States of America Patent
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Sep 30, 2014
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Apr 2, 2008
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Jan 20, 2003
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Abstract
A prediction method for predicting the effect of an amino acid modification on the rate of aggregation (solubility) of a reference polypeptide comprising: calculating the difference in hydrophobicity (ΔHydr) between the reference polypeptide and a modified polypeptide, calculating the difference in β-sheet propensity (ΔΔGcoil-α+ΔΔGβ-coil) between the reference polypeptide and modified polypeptide, calculating the difference in charge (Δ Charge) between the reference polypeptide and modified polypeptide, and calculating: [x* ΔHydr]+[y*(ΔΔGcoil-α+ΔΔGβ-coil)]−[z*Δ Charge], wherein x, y and z are scaling factors.
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