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Research Article

Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay

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Pages 3231-3245 | Received 14 Aug 2017, Accepted 17 Sep 2017, Published online: 23 Oct 2017
Supplemental material

Structures, estimated binding energy (ΔG) and inhibition constant (Ki) of the potential selective inhibitors for class I HDACs identified through structure-based virtual screening

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