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PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity

Protein mutations, especially those which occur in the binding site, play an important role in inter-individual drug response and may alter binding affinity and thus impact the drug’s efficacy and side effects. Unfortunately, large-scale experimental screening of ligand-binding against protein varia...

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Detalles Bibliográficos
Autores principales: Ammar, Ammar, Cavill, Rachel, Evelo, Chris, Willighagen, Egon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9983232/
https://www.ncbi.nlm.nih.gov/pubmed/36864534
http://dx.doi.org/10.1186/s13321-023-00701-3