Enhancing Enzyme Catalytic Activity with Combined Computational Strategies

Various computer-based strategies were employed to enhance the catalytic activity of the enzyme. These strategies included computational methods for directed molecular dynamics (SMD), functional libraries (FuncLib), protein strains (protein Strain), unsatisfactoriness, and frustration finder (pSUFER). These approaches were utilized with the aim of improving the enzyme's performance in a manner consistent with scientific research.