GlycoDigest

GlycoDigest simulates exoglycosidase digestion of oligosaccharides to enable precise determination of glycan structures.

Key Features:

• Simulation of Exoglycosidase Digestion: Simulates enzymatic cleavage of oligosaccharides by exoglycosidases using controlled rules derived from expert knowledge and experimental evidence in GlycoBase.
• Design of Enzyme Mixtures: Enables in silico design and evaluation of glycosidase enzyme mixtures by predicting combined digestion outcomes to optimize enzyme combinations for specific glycan analysis tasks.
• Validation and Improvement of Glycan Analysis: Provides simulated digestion outcomes, including predicted outcomes of enzymatic treatments, to validate and refine glycan analysis methods and experimental protocols.

Scientific Applications:

• Structural Elucidation of Glycans: Assists structural elucidation of complex N- and O-linked glycans by enabling unambiguous determination of glycan structures through simulated exoglycosidase digestion.
• Glycomics and Glycobiology Method Development: Supports development and optimization of enzymatic workflows and experimental protocols in glycobiology and glycomics research by predicting digestion outcomes.

Methodology:

Applies controlled rule-based simulation derived from expert knowledge and experimental evidence recorded in GlycoBase to model exoglycosidase activity on oligosaccharides.