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 (DeltaHydr) between the reference polypeptide and a modified polypeptide, calculating the difference in beta-sheet propensity (DeltaDeltaG_coil-alpha+DeltaDeltaG_beta-coil) between the reference polypeptide and modified polypeptide, calculating the difference in charge (Delta Charge) between the reference polypeptide and modified polypeptide, and calculating: [x*DeltaHydr]+[y*(DeltaDeltaG_coil-alpha+DeltaDeltaG_beta-coil)]-[z*Delta Charge], wherein x, y and z are scaling factors.