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Using Multiple Microenvironments to Find Similar Ligand-Binding Sites: Application to Kinase Inhibitor Binding

The recognition of cryptic small-molecular binding sites in protein structures is important for understanding off-target side effects and for recognizing potential new indications for existing drugs. Current methods focus on the geometry and detailed chemical interactions within putative binding poc...

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Autori principali: Liu, Tianyun, Altman, Russ B.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2011
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3248393/
https://ncbi.nlm.nih.gov/pubmed/22219723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1002326
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