PreprintCited by 6Protein Structure and DynamicsEnzyme Structure and FunctionMachine Learning in Bioinformatics

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Utilizing the Scale-Invariant Feature Transform Algorithm to Align Distance Matrices Facilitates Systematic Protein Structure Comparison

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Guo, Zhengyang, Wang, Yang, Ou, Guangshuo·2023·Bioinformatics

Preprint — published as 10.1093/bioinformatics/btae064 · Paper page

Abstract

Protein structure comparison is pivotal for deriving homological relationships, elucidating protein functions, and understanding evolutionary developments. The burgeoning field of in-silico protein structure prediction now yields billions of models with near-experimental accuracy, necessitating sophisticated tools for discerning structural similarities among proteins, particularly when sequence similarity is limited. Here, we have developed the ADAMS pipeline, which synergizes the distance matrix alignment method with the scale-invariant feature transform (SIFT) algorithm, streamlining protein structure comparison on a proteomic scale. Utilizing a computer vision-centric strategy for contrasting disparate distance matrices, ADAMS adeptly alleviates challenges associated with proteins characterized by a high degree of structural flexibility. Our findings indicate that ADAMS achieves a level of performance and accuracy on par with Foldseek, while maintaining similar speed. Crucially, ADAMS overcomes certain limitations of Foldseek in handling structurally flexible proteins, establishing it as an efficacious tool for in-depth protein structure analysis with heightened accuracy.

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Metadata

Authors
Guo, Z., Wang, Y., & Ou, G.
Affiliations
Center for Life Sciences (CN)
Corresponding author
Ou, Guangshuo
Venue
Bioinformatics
Publisher
openRxiv
Published
2023-11-16
Volume
40
Issue
3
ISSN
1367-4803 (ISSN-L)
OpenAlex
W4391575987
Cited by
6
References
2
Citations by year
2026: 3 · 2025: 1 · 2024: 2
FWCI
0.82
Type
journal article
Language
en
Open access
Licence
cc-by
Locations
  • Bioinformatics (publishedVersion, cc-by)
  • bioRxiv (Cold Spring Harbor Laboratory) (acceptedVersion, cc-by-nc-nd)
  • PubMed Central (publishedVersion, cc-by)
  • PubMed (publishedVersion)
Funders
  • National Natural Science Foundation of China (31671444, 31730052, 31861143042, 2017YFA0102900, 31871352, 31991190)
  • National Key Research and Development Program of China (2017YFA0102900, 2019YFA0508401)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Structural Biology › Enzyme Structure and Function
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Machine Learning in Bioinformatics
Keywords
protein structure comparison, scale-invariant feature transform, structural similarity, structural flexibility, homology detection
MeSH terms
Algorithms, Computers, Proteins, Software, Proteomics

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