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