PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 31246023-0 2019 QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory. Water 55-60 solute carrier family 38 member 5 Homo sapiens 39-42 31246023-1 2019 The prototypical SN2 reaction of chloride ion with methyl chloride has been reinvestigated in aqueous solution using QM/MM methodology featuring MO6-2X/6-31+G(d) calculations with the TIP4P water model, and partial charges were computed with the CM5 method. Water 190-195 solute carrier family 38 member 5 Homo sapiens 17-20