The interaction of proteins with ligand molecules is important for many proteins to perform their biological functions. Such interactions are often specific, not only in terms of the protein molecules involved in the interaction, but also in terms of the location where such interactions occur (i.e., the ligand binding site). Now, the bioinformaticians at CD ComputaBio are proud to tell you that we are ready to serve you protein-ligand interaction modeling service!
CD ComputaBio uses a range of methods to simulate protein-ligand interactions, including but not limited to:
Our team has extensive experience in using these methods to model protein-ligand interactions for drug discovery.
We first prepare protein (.pdb) and ligand structures, and then perform molecular docking as well as molecular dynamics simulations. After obtaining the trajectory files, we perform binding free energy calculations to estimate the binding affinity between the protein and the ligand. Finally, we analyze the results to determine the key interactions between the protein and ligand.
We have access to a range of software tools and computational resources to perform protein–ligand interaction modeling services. This includes molecular docking software such as
CD ComputaBio's protein-ligand interaction modeling service can reduce the cost of post-experiments. Each project needs to be evaluated before we can determine the appropriate analysis plan and price. We can keep up with popular and advanced topics in computational biology science. If you would like to know more about the service pricing or technical details, please feel free to contact us.