Article

CASTER-DTA: Equivariant Graph Neural Networks for Predicting Drug-Target Affinity

2024-11-28

Abstract excerpt

Accurately determining the binding affinity of a ligand with a protein is important for drug design, development, and screening. With the advent of accessible protein structure prediction methods such as AlphaFold, predicted protein 3D structures are readily available; however, methods for predicting binding affinity currently do not take full advantage of 3D protein information. Here, we present CASTER-DTA (Cross...

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Literature Corpus work: 596b65bb-869a-5e29-87f7-e7b7589d7ef7
DOI: 10.1101/2024.11.25.625281

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