PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 21456530-3 2011 Using Born-Oppenheimer ab initio QM/MM MD simulations, a state-of-the-art approach to simulating metallo-enzymes, we have found that the hydroxamic acid remains to be protonated upon its binding to HDAC8, and thus disproved the mechanistic hypothesis that the distinct zinc-hydroxamate chelation modes between two HDAC subclasses come from different protonation states of the hydroxamic acid. oppenheimer 11-22 histone deacetylase 8 Homo sapiens 198-203 resistant rats. neferine 41-49 tumor necrosis factor Rattus norvegicus 137-146