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Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements

Predicting off-targets by computational methods is getting increasing importance in early drug discovery stages. We herewith present a computational method based on binding site three-dimensional comparisons, which prompted us to investigate the cross-reaction of protein kinase inhibitors with synap...

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Autori principali: De Franchi, Enrico, Schalon, Claire, Messa, Mirko, Onofri, Franco, Benfenati, Fabio, Rognan, Didier
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2922380/
https://ncbi.nlm.nih.gov/pubmed/20808948
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0012214
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