Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures

Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures

Protein-ligand binding site prediction is a useful tool for understanding the functional behaviour and potential drug-target interactions of a novel protein of interest. However, most binding site prediction methods are tested by providing crystallised ligand-bound (holo) structures as input. This t...

Podrobná bibliografie
Hlavní autoři:	Carbery, A, Buttenschoen, M, Skyner, R, von Delft, F, Deane, CM
Médium:	Journal article
Jazyk:	English
Vydáno:	BioMed Central 2024

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