Binding free energy calculations and biological testing of novel thiobarbiturates as inhibitors of the human NAD+dependent histone deacetylase Sirt2

Urszula Uciechowska, Jörg Schemies, Michael Scharfe, Michael Lawson, Kanin Wichapong, Manfred Jung, Wolfgang Sippl
  • MedChemComm, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c1md00214g
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