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Keywords: Vina
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Articles
Judith Elkaim, Michel Castroviejo, Driss Bennani, Said Taouji, Nathalie Allain, Michel Laguerre, Jean Rosenbaum, Jean Dessolin, Patrick Lestienne
Journal:
Biochemical Journal
Biochem J (2012) 443 (2): 549–559.
Published: 27 March 2012
... previously, revealing a hexameric assembly with one ADP molecule co-crystallized in each subunit. Using Vina, DrugScore and Xscore, structure-based virtual screening of 2200 commercial molecules was conducted into the ATP-binding site formed by a dimer of Pontin in order to prioritize the best candidates...
Includes: Supplementary data
