Computer-Aided Enzyme Activity Analysis Service

Creative Biolabs is a global specialized Contract Research Organization (CRO) providing high-quality computer-aided enzyme activity analytical services to support research, manufacturing and clinical development of enzymes or proteins. We hope to help accelerate your discovery and work with you to explore new frontiers in biological science.

Computer-aided Enzyme Activity Analysis - Creative Biolabs

Protein engineering strategies aimed at constructing enzymes with new or improved activity, selectivity, and stability can greatly benefit from computational or in silico methods. Computational/Computer-aided methods can be divided into three main categories: bioinformatics, molecular modeling and de novo design. At Creative Biolabs, we provide superior computer-aided enzyme activity analysis based on these methods. The following are specific details:

Bioinformatics

Bioinformatics-based computational methods are widely used for the analysis of enzyme activities. For example, Suplatov et al. developed a web server ZEBRA for analyzing enzyme functional subfamilies. This server is used to systematically identify and analyze adaptive mutations. The subfamily specific positions (SSPs) are conservative in the subfamily, but differ among them. This method has been validated using the α/β-hydrolase superfamily. SSPs calculated for the amidase were integrated into the sequence of the lipase CALB and a mutant library was constructed. In silico screening of the library for the reactive enzyme-substrate complexes led to the selection of lipases with significantly improved amidase activity.

Molecular Modeling

Recent advances in computer-aided enzyme design include new backbone re-design methods and the use of molecular modeling to better predict the catalytic activity of the designed variants, which will further enhance the use of computational tools in enzyme engineering. For example, Biedermannova et al. combined several molecular modeling methods to study the effects of tunnel mutations on kinetics and reaction mechanisms of haloalkane dehalogenase. The software tool CAVER was used to analyze the tunnel kinetics in the trajectories obtained by molecular dynamics simulation. Redesigning protein using specialized software tools provides a useful strategy for engineering enzyme activity.

De novo Design

De novo protein design is experiencing rapid development, resulting in more robust, accurate, and reliable predictions. The latest trends in this field are to combine several computational approaches in an interactive manner and to complement them with structural analysis and directed evolution. In recent years, the computational methods of enzyme design have been continuously improved by integrating new protocols. At present, there are some improved computational methods for analyzing enzyme activity, including the Pareto-Optimal Refinement Method for the efficient design of initial scaffold libraries and the Selection of Active/Binding Sites for Enzyme Redesign (SABER) to analyze the functional sites of the proteins.

Why Choose Us?

Industry-standard software and hardware
Proprietary design concepts and tools
Highly experienced skilled scientists
Good track record of success
Tight integration with allied disciplines

As a leading service supplier in the biotechnology field, Creative Biolabs’s computer-aided enzyme activity analytical services are open to any project. Our service includes thorough discussion and counseling of your project so that the methods used fully meet the engineering requirements of your project. If you would like more details, please feel free to contact us.

All listed services and products are For Research Use Only. Do Not use in any diagnostic or therapeutic applications.

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