Improving Protein–Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge

Elucidating protein–ligand interaction is crucial for studying the function of proteins and compounds in an organism and critical for drug discovery and design. The problem of protein–ligand interaction is traditionally tackled by molecular docking and simulation, which is based on physical forces a...

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Detalles Bibliográficos

Autores principales:	Nabin Giri, Jianlin Cheng
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	MDPI AG 2023-01-01
Colección:	Biomolecules
Materias:	ligand challenge cryo-EM protein–ligand interaction bioinformatics machine learning deep learning
Acceso en línea:	https://www.mdpi.com/2218-273X/13/1/132
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