The three-dimensional structure of a protein provides basic information about its biological function and helps design therapeutic drugs that specifically bind to protein targets. In recent years, the number of experimentally determined protein structures has increased dramatically. However, experimental methods are usually tedious and time-consuming. Calculation represents an alternative and supplement to the experimental method for obtaining the three-dimensional structure of the protein.
Figure 1. Protein structure modeling.
Protein structure modeling can be applied to determine protein-protein interaction prediction, protein-protein docking, molecular docking, and functional annotation of genes identified in the organism's genome. Even low-precision homology models can be used for these purposes, because their imprecision is often located in loops on the protein surface, and even between closely related proteins.Their variability is usually significant. The functional regions of proteins, especially their active sites, are often more conservative, so modeling can be accurate.
ComputaBio' protein structure modeling service can significantly reduce the cost of later experiments. Our network analysis service provides accurate approximations of the behavior of real molecules and have proven to be very useful for understanding the different stages of drug development. If you are interested in our services, please contact us for more detailed information.