Protein Drug Virtual Screening Service
Protein-based therapeutics are reshaping the way diseases are treated, and proteins are projected to account for half of the top ten best-selling drugs. In certain aspects, they offer advantages over traditional small molecule drugs. Therefore, CD ComputaBio provides protein drug virtual screening services to achieve more effective therapeutic drugs.
Introduction to Protein Drug Virtual Screening
Virtual screening of protein drugs refers to the use of computer simulations or artificial intelligence algorithms to rapidly screen and optimize potential protein drugs. Through molecular docking, molecular dynamics simulations, and energy calculations, virtual screening can effectively predict interactions between protein drugs and their targets. This approach not only accelerates the drug development process but also plays a crucial role in the treatment of complex diseases.
Fig.1 One substrate-many enzymes screening workflow. (Malatesta M, et al.; 2024)
Our Service
CD ComputaBio offers innovative virtual screening services for protein drugs. This high-throughput screening solution can rapidly screen quantitative libraries of protein drug candidates, assessing binding affinity, conformational changes, and more. These efforts enhance the success rate of developing protein therapies for treating complex diseases.
We utilize advanced technologies to comprehensively evaluate quantitative candidate antibody libraries, generating a prioritized list of potential hits to effectively address and meet your specific screening and research needs with precision and efficiency.
We identify enzymes involved in metabolic reactions by evaluating the binding capabilities of substrates with a specific protein database, thereby aiding the development of drug discovery and metabolic engineering fields.
Technologies for Protein Drug Virtual Screening
01 Molecular Docking
Docking the batch of protein drug candidate molecules with the targets, obtaining a score for each molecule, ranking them according to their scores, and preliminarily selecting the high-affinity candidate molecules.
02 Molecular Dynamics Simulation
Performing molecular dynamics simulations on the high-scoring protein-target complexes screened from molecular docking, filtering out unstable or weakly interacting complexes, and retaining the stable and effectively interacting candidate molecules.
Service Advantages
- Innovative Technology: Utilizing cutting-edge computational biology tools and models, our screening process is made more precise and efficient.
- Expert Team: Our team, composed of experienced researchers, ensures the high-quality execution of projects.
- Fast Delivery: Optimized processes and technological approaches guarantee shorter project cycles.
- Personalized Service: We provide flexible, customized services based on the specific research objectives and requirements of our clients.
By choosing CD ComputaBio's protein drug virtual screening services, clients can significantly enhance research and development efficiency, reduce development costs, and increase success rates. If you would like to learn more about our services or receive project recommendations, please contact us immediately. Our team is always ready to assist you and support your research process.
Reference:
- Malatesta, M.; et al. One substrate many enzymes virtual screening uncovers missing genes of carnitine biosynthesis in human and mouse[J]. Nature Communications. 2024, 15(1): 3199.
* For Research Use Only.
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