Computational method and apparatus for predicting...

Details Computational method and apparatus for predicting... Computational method and apparatus for predicting...

2011-04-19

2011-04-19

Borin, Michael (Department: 1631)

Data processing: structural design, modeling, simulation, and em

Simulating nonelectrical device or system

Biological or biochemical

C702S019000, C702S023000

Reexamination Certificate

active

07930157

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*ΔCharge], wherein x, y and z are scaling factors.

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