Aggrescan3D 2.0

Aggrescan3D 2.0 predicts the aggregation propensity of protein structures and supports rational design to improve protein solubility.

Key Features:

• Dynamic Mode Analysis: Incorporates a dynamic mode that accounts for the flexibility of natural and engineered polypeptides and their fluctuations when predicting aggregation propensity.
• Extended Dynamic Calculations: Extends dynamic calculations to handle significantly larger proteins and multimeric complexes.
• Simultaneous Solubility and Stability Predictions: Predicts changes in protein solubility and stability upon mutations in a single computational workflow.
• Rapid Screening for Functional Variants: Enables rapid computational screening to identify functional protein variants with improved solubility.
• RESTful Service Integration: Provides a RESTful service to integrate Aggrescan3D 2.0 calculations into automated pipelines and high-throughput workflows.

Scientific Applications:

• Study of disease-associated aggregation: Predicts aggregative tendencies relevant to human disorders, including neurodegenerative disorders.
• Therapeutic protein design: Aids identification and design of therapeutic protein variants with reduced aggregation risk.
• Biopharmaceutical protein engineering: Supports engineering of soluble proteins for biopharmaceutical manufacturing applications.

Methodology:

Structure-based prediction models that incorporate dynamic fluctuations of protein structures to assess aggregation propensity and predict effects of mutations.