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The production of biodiesel by enzymatic transesterification has attracted much attention for high purity product and enables easy separation. Candida antarctica lipase B is one of the most important enzyme in the biodiesel reaction. In reaction, CALB shows low organic solvent stability
while having relation with methanol. In this study, we concerned about enhancing organic solvent stability in hydrophilic solvents. In watermiscible solvents, water molecule seems to play an important role in biological structure and function. Water molecules in the enzyme are
stripped away or replaced with hydrophilic solvent molecules and this causes deformation and denaturation of the enzyme. Molecular dynamic simulation were proceed to search how enzyme actually motion in organic solvents. RMSD value of each residue were calculated for distinguish
having highly alteration amino acids, which are determined as weak spots. For further analysis, secondary structure, solvent accessible area, intra molecule interaction and water molecule movements were identified and calculated.