Computational methods to predict protein aggregation

Susanna Navarro, Salvador Ventura*

*Corresponding author for this work

Research output: Contribution to journalReview articleResearchpeer-review

17 Citations (Scopus)


In most cases, protein aggregation stems from the establishment of non-native intermolecular contacts. The formation of insoluble protein aggregates is associated with many human diseases and is a major bottleneck for the industrial production of protein-based therapeutics. Strikingly, fibrillar aggregates are naturally exploited for structural scaffolding or to generate molecular switches and can be artificially engineered to build up multi-functional nanomaterials. Thus, there is a high interest in rationalizing and forecasting protein aggregation. Here, we review the available computational toolbox to predict protein aggregation propensities, identify sequential or structural aggregation-prone regions, evaluate the impact of mutations on aggregation or recognize prion-like domains. We discuss the strengths and limitations of these algorithms and how they can evolve in the next future.

Original languageEnglish
Article number102343
Number of pages11
JournalCurrent Opinion in Structural Biology
Publication statusPublished - Apr 2022


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