<i>NucleoFind</i>: a deep-learning network for interpreting nucleic acid electron density

Nucleic acid electron density interpretation after phasing by molecular replacement or other methods remains a difficult problem for computer programs to deal with. Programs tend to rely on time-consuming and computationally exhaustive searches to recognise characteristic features. We present NucleoFind, a deep-learning-based approach to interpreting and segmenting electron density. Using an electron density map from X-ray crystallography obtained after molecular replacement, the positions of the phosphate group, sugar ring and nitrogenous base group can be predicted with high accuracy. On average, 78% of phosphate atoms, 85% of sugar atoms and 83% of base atoms are positioned in predicted density after giving NucleoFind maps produced following successful molecular replacement. NucleoFind can use the wealth of context these predicted maps provide to build more accurate and complete nucleic acid models automatically.

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Publication Details

Journal
Nucleic Acids Research
Published
2024-08-20
DOI
https://doi.org/10.1093/nar/gkae715
Citations
2
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
0.23

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article

NucleoFind: a deep-learning network for interpreting nucleic acid electron density

Paul S. Bond, Jon Agirre, Jordan S. Dialpuri, Kathryn D Cowtan
2 citations
Nucleic Acids Research
Enzyme Structure and Function
0.23
article

NucleoFind: a deep-learning network for interpreting nucleic acid electron density

Paul S. Bond, Jon Agirre, Jordan S. Dialpuri, Kathryn D Cowtan
article en
2 citations

Abstract

Nucleic acid electron density interpretation after phasing by molecular replacement or other methods remains a difficult problem for computer programs to deal with. Programs tend to rely on time-consuming and computationally exhaustive searches to recognise characteristic features. We present NucleoFind, a deep-learning-based approach to interpreting and segmenting electron density. Using an electron density map from X-ray crystallography obtained after molecular replacement, the positions of the phosphate group, sugar ring and nitrogenous base group can be predicted with high accuracy. On average, 78% of phosphate atoms, 85% of sugar atoms and 83% of base atoms are positioned in predicted density after giving NucleoFind maps produced following successful molecular replacement. NucleoFind can use the wealth of context these predicted maps provide to build more accurate and complete nucleic acid models automatically.

Nucleic Acids ResearchVol. 52(17)
University of York (GB)
University of York, Royal Society, Directorate for Biological Sciences, Biotechnology and Biological Sciences Research Council
Openalex Percentile: Top 52%
Enzyme Structure and Function
0.23
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