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Large-scale Annotation of Biochemically Relevant Pockets and Tunnels in Cognate Enzyme-Ligand Complexes

O. Vavra,J. Tyzack,F. Haddadi,J. Stourac,J. Damborsky,S. Mazurenko,J. M. Thornton,D. Bednar

JOURNAL OF CHEMINFORMATICS（2024）

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Key words
Bottleneck,Cognate ligand,Cavity,Enzyme,Tunnel,Machine learning,Pocket,Transport
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