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The biological functions of enzymes are largely determined by their three-dimensional structures and the solvent environments they exist. Therefore, improving properties of structures and solvent environments of enzymes is a feasible way to optimize their functions and rational design. From the perspective of real application, molecular design methods can provide effective solutions to enzyme engineering. Currently, there are two research directions in the molecular design of enzymes, including improving the catalytic activity and stability of enzymes. Studying methods of enzyme molecular design is helpful to the investigation of protein biological mechanisms. In recent years, bioinformatics methods have been widely used in enzyme molecular design in the academia community. In this paper, the enzyme design background, strategies and some classical cases are systematically summarized. [ABSTRACT FROM AUTHOR]

Enzymes are one of the most important biological molecules in organisms. Systematic study of the functions of enzymes is of great value to scientific research and industrial application. In recent years, the methods of enzyme function prediction based on computer technology have been developing and improving. Based on this context, this paper summarizes the main computational-based methods of enzyme function prediction, including the binding sites, molecular docking, dynamic simulation, and molecular design. Meanwhile, the developing trend is discussed and prospected in this paper. [ABSTRACT FROM AUTHOR]

InvcsLigaLing Lhc applicaLion of LcxL analysis Lechnologv Lo bioinformaLics has imporLanL LheoreLical and pracLical value in Lhc era of big daLa. Several applicaLion examples and core Lcchnical conLcnL of LcxL analysis in pro Lein compnLaLional analysis am discussed in Lhis paper. TcxL analysis Lechnologv can play a leading and guiding role in Lhc field of bioinformaLics, and iLs applicaLion in bioinformaLics furLher pmmoLes Lhe devclopmenL of LcxL analysis Lechnologv. AlLhoiigh LcxL analysis Lechnology has been widely used in bioinformaLics, Lherc arc sLill some problems Lo 1)(，solved, which arc also discussed in Lhis paper. [ABSTRACT FROM AUTHOR]

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