Template-based modeling of a psychrophilic lipase: Conformational changes, novel structural features and its application in predicting the enantioselectivity of lipase catalyzed transesterification of secondary alcohols
Keywords: BGL, Burkholderia glumae lipase; PAL, Pseudomonas aeruginosa lipases; 3-D, Three-dimensional; TI, Tetrahedral intermediate; MD, Molecular dynamics; MM, Molecular mechanics; eep, Enantiomeric excess of productMolecular modeling; Lipase; Molecular dynamics;