COMPUTATIONAL METHOD AND APPARATUS FOR PREDICTING POLYPEPTIDE AGGREGATION OR SOLUBILITY

摘要

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 inβ-sheet propensity (ΔΔGcoil-α+ΔΔGβ-coil) between the reference polypeptide and modified polypeptide, calculating the difference in charge (ΔCharge) between the reference polypeptide and modified polypeptide, and calculating: [x*ΔHydr]+[y*(ΔΔGcoil-α+ΔΔGβ-coil)]−[z*ΔCharge], wherein x, y and z are scaling factors.