PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 17388541-2 2007 By employing on-the-fly Born-Oppenheimer molecular dynamics simulations with the ab initio quantum mechanical/molecular mechanical approach and the umbrella sampling method, we have determined free energy profiles for the methyl-transfer reaction catalyzed by the histone lysine methyltransferase SET7/9 and its corresponding uncatalyzed reaction in aqueous solution, respectively. oppenheimer 29-40 PR/SET domain containing protein 7 Drosophila melanogaster 297-303