A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships

Alexander Kroll; Sahasra Ranjan; Martin J. Lercher

doi:10.1371/journal.pcbi.1012100

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Open Access

Peer-reviewed

A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships

Alexander Kroll,

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

Affiliation Institute for Computer Science and Department of Biology, Heinrich Heine University, Düsseldorf, Germany
⨯
Sahasra Ranjan,

Roles Conceptualization, Data curation, Investigation, Methodology, Software

Affiliation Department of Computer Science and Engineering, Indian Institute of Technology Bombay, Powai, Mumbai, India
⨯
Martin J. Lercher

Roles Formal analysis, Funding acquisition, Investigation, Project administration, Resources, Supervision, Validation, Visualization, Writing – review & editing

* E-mail: martin.lercher@hhu.de

Affiliation Institute for Computer Science and Department of Biology, Heinrich Heine University, Düsseldorf, Germany

https://orcid.org/0000-0003-3940-1621

⨯

A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships

Alexander Kroll,
Sahasra Ranjan,
Martin J. Lercher

Published: May 20, 2024
https://doi.org/10.1371/journal.pcbi.1012100

About the Authors

Alexander Kroll

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

Affiliation Institute for Computer Science and Department of Biology, Heinrich Heine University, Düsseldorf, Germany

Sahasra Ranjan

Roles Conceptualization, Data curation, Investigation, Methodology, Software

Affiliation Department of Computer Science and Engineering, Indian Institute of Technology Bombay, Powai, Mumbai, India

Martin J. Lercher

Roles Formal analysis, Funding acquisition, Investigation, Project administration, Resources, Supervision, Validation, Visualization, Writing – review & editing

* E-mail: martin.lercher@hhu.de

Affiliation Institute for Computer Science and Department of Biology, Heinrich Heine University, Düsseldorf, Germany

https://orcid.org/0000-0003-3940-1621

Competing Interests

The authors have declared that no competing interests exist.

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Small molecules
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Drug interactions
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Enzymes
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Protein interactions
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Protein interaction networks
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Protein sequencing
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Machine learning
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Forecasting
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