E(3) equivariant graph neural networks for robust and accurate protein-protein interaction site prediction

Rahmatullah Roche; Bernard Moussad; Md Hossain Shuvo; Debswapna Bhattacharya

doi:10.1371/journal.pcbi.1011435

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Open Access

Peer-reviewed

Research Article

E(3) equivariant graph neural networks for robust and accurate protein-protein interaction site prediction

Rahmatullah Roche,

Roles Data curation, Formal analysis, Investigation, Software, Validation, Visualization, Writing – original draft

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Bernard Moussad,

Roles Software, Validation

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Md Hossain Shuvo,

Roles Software, Validation

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Debswapna Bhattacharya

Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

* E-mail: dbhattacharya@vt.edu

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America

https://orcid.org/0000-0002-9630-0141

⨯

E(3) equivariant graph neural networks for robust and accurate protein-protein interaction site prediction

Rahmatullah Roche,
Bernard Moussad,
Md Hossain Shuvo,
Debswapna Bhattacharya

Published: August 31, 2023
https://doi.org/10.1371/journal.pcbi.1011435

About the Authors

Rahmatullah Roche

Roles Data curation, Formal analysis, Investigation, Software, Validation, Visualization, Writing – original draft

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America

Bernard Moussad

Roles Software, Validation

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America

Md Hossain Shuvo

Roles Software, Validation

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America

Debswapna Bhattacharya

Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

* E-mail: dbhattacharya@vt.edu

Affiliation Department of Computer Science, Virginia Tech, Blacksburg, Virginia, United States of America

https://orcid.org/0000-0002-9630-0141

Competing Interests

The authors have declared that no competing interests exist.

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Protein structure prediction
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Neural networks
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Protein structure
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Convolution
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Monomers
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Forecasting
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Recurrent neural networks
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Reflection
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