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A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction

BACKGROUND: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug design. A classical assumption in structural biology is that proteins with similar 3D structures have related molecular funct...

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Main Authors: Hoffmann, Brice, Zaslavskiy, Mikhail, Vert, Jean-Philippe, Stoven, Véronique
Formato: Artigo
Idioma:Inglês
Publicado: BioMed Central 2010
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2838872/
https://ncbi.nlm.nih.gov/pubmed/20175916
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-99
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