Scoring protein-ligand binding structures through learning atomic graphs with inter-molecular adjacency

Open Access

Peer-reviewed

Research Article

About the Authors

Debby D. Wang

Roles Conceptualization, Formal analysis, Methodology, Software, Writing – original draft, Writing – review & editing

Affiliation School of Science and Technology, Hong Kong Metropolitan University, Ho Man Tin, Hong Kong

Yuting Huang

Roles Data curation, Validation

Affiliation School of Science and Technology, Hong Kong Metropolitan University, Ho Man Tin, Hong Kong

The authors have declared that no competing interests exist.

Graphs
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Protein structure
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Drug interactions
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Protein structure prediction
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Deep learning
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Protein interactions
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Principal component analysis
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Protein structure databases
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