The problem of protein-protein docking is one of the focuses of computational biophysics and structural biology research. Generally, the three-dimensional structure of a protein-protein complex is more difficult to experimentally determine than the structure of a single protein. As the number of known protein structures is increasing, especially in structural genomics, it is very important to use appropriate computational techniques to model protein interactions. Docking provides tools for the basic research of protein interactions and provides a structural basis for drug design.
1. If there are certain atoms or residues in the receptor or ligand protein, it needs to be completed.
2. Only standard amino acid atoms or residues are allowed in the protein. Atoms in non-standard residues will be treated as zero-charged carbon atoms.
3. Generally, the water molecules should be removed before calculation. However, if water is included, the oxygen atom is treated the same as the unknown atom (i.e., as a zero-charged carbon).
4. If the imported ligand or receptor has multiple conformations (for example, a structure from an NMR experiment), the calculation will use the first conformation. If a configuration other than the first conformation should be used for calculations, please delete all conformations other than the specified conformation.
5. Regardless of whether there are hydrogen atoms in the input molecule, hydrogen atoms will not be used in the calculation.
|Project name||Protein-Protein Docking Service|
MedAI provides customers with professional protein-protein docking service according to their detailed requirements. We can offer you with the following services but not limit to:
|Cycle||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.|
MedAI's protein-protein docking service can significantly reduce the cost of subsequent experiments. protein-protein docking service 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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