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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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Бібліографічні деталі
Автори: Enrico Defranchi, Claire Schalon, Mirko Messa, Franco Onofri, Fabio Benfenati, Didier Rognan
Формат: Artigo
Мова:Inglês
Опубліковано: Public Library of Science (PLoS) 2010-08-01
Серія:PLoS ONE
Онлайн доступ:https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0012214&type=printable
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