PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 22098575-4 2011 In the present study, pK(a) calculations and multiple explicit-solvent molecular dynamics (MD) simulations were performed to characterize and contrast the structural dynamics of OPH bound to two substrates hydrolyzed with very distinct catalytic efficiencies: the nerve agent soman (O-pinacolylmethylphosphonofluoridate) and the pesticide paraoxon (diethyl p-nitrophenyl phosphate). o-pinacolylmethylphosphonofluoridate 283-319 acylaminoacyl-peptide hydrolase Homo sapiens 178-181