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Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review

The rapid and accurate in silico prediction of protein-ligand binding free energies or binding affinities has the potential to transform drug discovery. In recent years, there has been a rapid growth of interest in deep learning methods for the prediction of protein-ligand binding affinities based o...

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Detalhes bibliográficos
Publicado no:Front Bioinform
Main Authors: Meli, Rocco, Morris, Garrett M., Biggin, Philip C.
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2022
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7613667/
https://ncbi.nlm.nih.gov/pubmed/36187180
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fbinf.2022.885983
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