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PSnpBind: a database of mutated binding site protein–ligand complexes constructed using a multithreaded virtual screening workflow

A key concept in drug design is how natural variants, especially the ones occurring in the binding site of drug targets, affect the inter-individual drug response and efficacy by altering binding affinity. These effects have been studied on very limited and small datasets while, ideally, a large dat...

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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 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8886843/
https://www.ncbi.nlm.nih.gov/pubmed/35227289
http://dx.doi.org/10.1186/s13321-021-00573-5

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