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Zinc Chelation with Hydroxamate in Histone Deacetylases Modulated by Water Access to the Linker Binding Channel

It is of significant biological interest and medical importance to develop class- and isoform-selective histone deacetylases (HDAC) modulators. The impact of the linker component on HDAC inhibition specificity was revealed, but has not been understood. Herein with Born-Oppenheimer ab initio QM/MM mo...

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Bibliographic Details
Main Authors: Wu, Ruibo, Lu, Zhenyu, Cao, Zexing, Zhang, Yingkai
Format: Artigo
Language:Inglês
Published: 2011
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3086135/
https://ncbi.nlm.nih.gov/pubmed/21456530
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja111104p
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