Peptide Molecular Docking


Peptide Molecular Docking

Peptides are a class of compounds formed by connecting multiple amino acids through peptide bonds, usually composed of 10-100 amino acid molecules, and the connection method is the same as that of proteins, and the relative molecular mass is less than 10,000. In recent years, with the development and maturity of peptide synthesis technology, peptide drugs have become one of the hot spots in drug research and development. Because of their wide indications, high safety, and remarkable efficacy, they have been widely used in tumors, cardiovascular and cerebrovascular diseases, hepatitis, and the prevention, diagnosis and treatment of diabetes, AIDS and other diseases have broad prospects for development. Now, CD ComputaBio provides you with professional peptide molecular docking services to meet your scientific research needs.

Overall solutions

Computational docking methods have proven to be useful in the discovery and design of small-molecule drugs. Peptide docking methods can be divided into three categories: template-based docking; local docking; and global docking (Figure. 1). Different approaches offer different levels of prediction accuracy, often determined by the amount of interaction information provided as input. We provide you with the following peptide docking services but not limited to:

Typical pipelines for peptide molecular docking.

  • Peptide-ligand docking
  • Peptide-protein molecular docking
  • Peptide-peptide molecular docking


  • Rigid docking
  • Flexible docking
  • Semi-flexible docking


  • We provide protein-peptide, peptide-peptide docking, peptide-ligand docking and docking results analysis service.
  • Peptide docking tools can be divided on template-based, local and global methods.
  • The challenges of peptide docking include: sampling, scoring, and comprehensive modeling.
  • Peptide docking tools provide many opportunities for structure-based drug design.

Why choose us?

  • CD ComputaBio provides professional peptide molecular docking service. We provide rigid docking, flexible docking and semi-flexible docking methods, you can choose according to your needs.
  • CD ComputaBio will complete your project on time and efficiently. We have professional after-sales service. Provide customers with efficient and feasible solutions.
  • CD ComputaBio cooperates with scientists from many pharmaceutical and biotechnology companies. We have a wealth of knowledge and experience to provide quality assurance services.

Our services

Project name Peptide molecular docking
Our services CD ComputaBio offers peptide molecular docking services to meet the specific needs of different customers.
Timeline Decide according to your needs.
Deliverables We provide you with raw data and analysis service.
Price Inquiry

CD ComputaBio provides professional peptide molecular docking services to meet the specific needs of our customers on time and on budget. CD ComputaBio relies on world-class technical expertise, we provide customers with the best quality one-stop peptide molecular docking services, including the development of solutions according to different scientific research needs. Please feel free to contact us for more detailed information, our scientists will tailor the most reasonable plan for your project. If you want to know more service prices or technical details, please feel free to contact us.


  1. Ciemny M, Kurcinski M, Kamel K , et al. Protein–peptide docking: opportunities and challenges. Drug Discovery Today, 2018, 23(8).
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