%0 Journal Article %T Reaction mechanism and free energy profile for acylation of Candida Antarctica Lipase B with Methylcaprylate and Acetylcholine; Density functional theory calculation %A Sadeghi Googheri, Mohammadsadegh %A Housaindokht, Mohammad Reza %A Hassan Sabzyan %J Journal of Molecular Graphics and Modelling %@ 1093-3263 %D 2014