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Molecular Docking Service

In molecular modeling, molecular docking is a widely used technique that predicts the preferred orientation of a given molecule to a second when they’re bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be applied to predict the strength of association or binding affinity between two molecules using scoring functions. The relationships between biologically related molecules such as proteins, nucleic acids, carbohydrates, and lipids play a critical role in signal transduction. Moreover, the involved orientation of the two interacting partners may have an effect on the type of signal produced (e.g., agonism or antagonism). For that reason, docking is useful for predicting both the strength and type of produced signal. Now, bioinformaticians at Creative Proteomics are proud to tell you we are open to help you with Molecular Docking Service!

Molecular Docking Service

To perform a screen based on molecular docking, the first requirement is the three-dimensional structure of a protein of interest. Usually the protein structure has been determined using a biophysical method such as x-ray crystallography or NMR spectroscopy, but can also be obtained from homology modeling construction. This three-dimensional structure and a database of prepared ligands serve as inputs to a molecular docking program. The success of a docking program relies on two components: the search algorithm and the scoring function.

Molecular docking is one of the most frequently used techniques in structure-based drug design (SBDD), due to its ability to predict the binding conformation of small molecule ligands to the suitable target binding site. Molecular docking may be applied to:

  • Hit identification: molecular docking combined with a scoring function can be applied to quickly screen large databases of potential in silico to identify molecules that are possible to bind to protein target of interest.
  • Lead optimization: molecular docking can be applied to predict the binding mode of a ligand binding to a protein. This information may in turn be applied to design more potent and selective analogs.
  • Bioremediation: molecular docking can also be used for the prediction of pollutants that can be degraded by enzymes.
  • Characterization of the binding mode also plays a significant role in elucidating fundamental biochemical processes.

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As one of the leading omics industry company in the world! Creative Proteomics now is opening to provide molecular docking service for our customers. With over 8 years experience in the field of bioinformatics, we are willing to provide the most outstanding molecular docking service to our customer! Contact us for all the detailed information!

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