Molecular Docking Service
Understanding the interactions between molecules is important, CD ComputaBio's molecular docking service is designed to provide clients with comprehensive solutions for researchers, aiming to explore these molecular interactions at a detailed level. CD ComputaBio combines cutting-edge computational techniques with in-depth domain knowledge to offer valuable insights into how molecules bind and interact with each other.
Introduction to Molecular Docking
Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. Successful docking methods search high-dimensional spaces effectively and use a scoring function that correctly ranks candidate dockings. By using algorithms, the method explores different orientations and conformations of the ligand around the receptor's binding site. The best-scoring pose is considered as the most likely binding mode of the ligand to the receptor.
Figure 1. Process of Molecular Docking. (Doss C G P, et al., 2024)
Molecular Docking in Drug Discovery
Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, it has developed into a formidable tool for drug development. Bioactive substances called nutraceuticals are present in food sources and can be used in the management of diseases. Finding their molecular targets can help in the creation of disease-specific new therapies. This computational approach accelerates the drug discovery process, offering valuable insights for pharmaceutical research.
Our Services
The molecular docking service from CD ComputaBio offers a comprehensive solution for researchers in drug discovery, molecular biology, and related fields. With in-depth understanding of molecular docking, advanced software, and an experienced team, we can assist you at every stage of your molecular docking research.
By Molecular Types
By Docking Methods
CD ComputaBio offers a corresponding molecular docking service. Our molecular docking provides accurate approximations of real molecular behaviors, and have proven to be very useful in understanding the biochemical basis of physiological events at different stages of drug development, even in different fields such as materials science. Our team of experts can provide up to one millisecond of simulation time for the system you choose, so you do not have to worry about technical issues. If you are interested in our services or have any questions, please feel free to contact us.
Reference:
- Doss C G P, Chakraborty C, Narayan V, et al. Computational approaches and resources in single amino acid substitutions analysis toward clinical research. Advances in protein chemistry and structural biology, 2024, 94: 365-423.
* For Research Use Only.
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