Molecular Docking

The interactions between proteins and other molecules play important roles in various biological processes, including gene transcription and expression, metabolic regulation, signal transduction, and cell communication. Knowing structural aspects of a protein complexed with its binding partner can help understand the mechanism of such interaction and thus is important for drug discovery and development. However, it remains difficult and expensive to obtain complex structures by experimental methods, such as X-ray crystallography or NMR. Thus, computational docking is considered an important approach to predicting the three-dimensional structures of these interacting partners.

Profacgen employs computational docking techniques for a variety of purposes. Single docking experiments are useful for exploring protein functions, studying enzyme inhibitors and substrates, and elucidating biochemical pathways. Virtual screening of large databases of available chemicals can be applied for lead detection and optimization. The docking procedure also works seamlessly with upstream and downstream computational modeling protocols, which offers unparalleled opportunities for structure-based drug discovery.

Please see below the types of computational docking protocols we can perform for you:

• Protein-Ligand Docking
• Protein-Protein Docking
• Protein-Nucleic Acid Docking
• Antibody-Antigen Docking
• Protein-Peptide Docking
• Protein–Carbohydrate Docking
• Protein–Lipid Docking

Please feel free to contact us with your molecular docking projects. Profacgen is here to offer you professional and thoughtful service.