PIChemiSt ─ Free Tool for the Calculation of Isoelectric Points of Modified Peptides.

ABSTRACT: The isoelectric point (pI) is a fundamental physicochemical property of peptides and proteins. It is widely used to steer design away from low solubility and aggregation and guide peptide separation and purification. Experimental measurements of pI can be replaced by calculations knowing the ionizable groups of peptides and their corresponding pK_a values. Different pK_a sets are published in the literature for natural amino acids, however, they are insufficient to describe synthetically modified peptides, complex peptides of natural origin, and peptides conjugated with structures of other modalities. Noncanonical modifications (nCAAs) are ignored in the conventional sequence-based pI calculations, therefore producing large errors in their pI predictions.

SUBMITTER: Frolov AI 

PROVIDER: S-EPMC9832473 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature