The biological function of protein is mainly through the interaction of the specific part of its binding surface with other small molecules or biological macromolecules. Predicting possible binding sites on the surface of protein molecules through computational methods is conducive to computer-aided drug design based on protein structure, and further promotes the process of new drug development. According to the different ligands that the protein binds to, the binding sites on the protein surface can be divided into protein-protein binding sites and protein-ligand binding sites. The structure and amino acid composition of the protein binding site are obviously different from the rest of the surface. These differences are mainly manifested in the conservation of the sequence, the polarity of the amino acid, the composition of the secondary structure, and the formation of hydrogen bonds. This makes it possible to use computational methods to predict protein binding sites.
The prediction methods of protein binding sites proposed internationally mainly include four categories: sequence-based prediction methods, structure-based prediction methods, prediction methods based on physical and chemical properties, and comprehensive prediction methods. Each method has its own advantages, but there is no universal method that can predict the functional site of any protein. Therefore, in practical applications, different prediction methods can be selected for different proteins. Here CD ComputaBio provides you with the following services for predicting ligand binding:
|Ligand Binding Site Prediction
|CD ComputaBio provides customers with professional ligand binding site prediction solutions according to their detailed requirements.
|Depends on the time you need to simulate and the time required for the system to reach equilibrium.
|Product delivery mode
|The simulation results provide you with the raw data and analysis results of molecular dynamics.
CD ComputaBio's ligand binding site prediction solution can significantly reduce the cost of subsequent experiments. Ligand binding site prediction services is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.
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