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May 8, 2023Nature Biotechnology2,578 citationsOpen Access

Fast and accurate protein structure search with Foldseek

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MKMichel van KempenSKStephanie KimCTCharlotte Tumescheit

Key Points

  • The aim is to enhance protein structure searching efficiency in large databases using Foldseek.
  • Foldseek aligns query protein structures against databases using a structural alphabet.
  • It models tertiary amino acid interactions to describe protein structures.
  • Performance compared to Dali, TM-align, and CE in terms of sensitivity and computation time.
  • Foldseek reduces computation times by four to five orders of magnitude.
  • Achieves 86%, 88%, and 133% sensitivity compared to Dali, TM-align, and CE, respectively.

Abstract

As structure prediction methods are generating millions of publicly available protein structures, searching these databases is becoming a bottleneck. Foldseek aligns the structure of a query protein against a database by describing tertiary amino acid interactions within proteins as sequences over a structural alphabet. Foldseek decreases computation times by four to five orders of magnitude with 86%, 88% and 133% of the sensitivities of Dali, TM-align and CE, respectively.

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Cite This Study

Kempen et al. (2023) studied this question.

synapsesocial.com/papers/69d7f7a166a29169b4bed9e7https://doi.org/10.1038/s41587-023-01773-0
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