Binding Mode Analysis Services

Binding mode analysis services

The characteristics of receptor are saturation, high affinity, specificity, and reversibility when it binds to the ligand. The binding between the receptor and the ligand results in an activated receptor and the generation of the basic steps for receptor activation subsequent signaling. Under physiological conditions, the binding between the receptor and the ligand is not mediated by covalent bonds, but mainly depends on ionic bonds, hydrogen bonds, van der Waals forces, and hydrophobic interactions.

Our simulation services

Project name Binding mode analysis services
Samples requirement Please provide the original file after your calculation, if you need molecular dynamics service, you can directly provide the initial structure of PDB ID, etc.
Timeline 3-5 days.
Deliverables We provide you with raw data and calculation result analysis service.
Price Inquiry

Why should we analyze binding mode between ligand and Biomacromolecule?

In recent years, some drug receptors have been isolated and the structure of the receptors has been determined. At present, the interaction points and binding methods of drugs interacting with them, X-ray single crystal diffraction, computer graphics and quantum chemical calculations, etc. are determined. The receptor's image can be inferred from the body's binding mode, which can be used as the basis for inferring the chemical structure of the new lead compound. Therefore, the calculation of the combined mode is of great significance to drug discovery.

Binding mode analysis services 1

Binding mode analysis services 2

Suitable systems for binding mode analysis include but not limited to:

  • Protein-protein interaction system
  • Protein-small molecule interaction system
  • Peptide interaction system
  • DNA-small molecule interaction system
  • RNA-small molecule interaction system

There are two main calssifications for our binding mode analysis services:

Categories Descriptions

Multibody binding mode

In this model, there are co-receptors involved. Therefore, ligands and receptors, as well as co-receptors, together form a ternary complex. Typical examples are fibroblast growth factor (FGF) and its receptor (FGFR).

Multi-point combination

When some ligands interact with receptors, they have both protein-protein interactions and sugar-protein interactions. In some animal lectins related to intercellular adhesion, not only the sites that interact with sugars were found, but also the interaction sites between proteins and proteins were identified.

Our molecular dynamics simulation service but not limited to:

Binding mode analysis services 3

CD ComputaBio provides a binding mode analysis service. The analysis of the binding mode between drugs and receptors is of great significance for new drug development and drug candidate screening. Our team of experts can provide accurate analysis services for the system you choose, so you don’t have to worry about technical issues. If you have relevant analysis service requirements, please feel free to contact us.

* It should be noted that our service is only used for research, not for clinical use.

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