Hybrid Method for Virtual Screening Service

The hybrid method is an integrated virtual screening (VS) method that relies on the similarity of structure and ligand. It uses all available chemical and biological information to enhance the advantages of each VS method and reduce disadvantages, thereby making computer-aided drug design more successful. The hybrid method predicts small molecule binders based on evolution-based ligand binding information, and uses both overall structural similarity and pocket similarity.

Method

ComputaBio provides different strategies for integrating virtual screening methods based on ligands and structures. These methods can be divided into hierarchical, parallel and hybrid methods. In hybrid virtual screening, both structural information and ligand information are combined into independent methods. This method has been developed and used successfully in many cases. When protein-ligand pharmacophores are developed based on the experimental structure or homology model of protein-ligand complexes, they represent the combination of ligand and protein information. The excluded volume is used to limit the filtered compound to the size of the binding bag.

Hybrid Method for Virtual Screening Service 1

Overall solutions

Hybrid Method for Virtual Screening Service 2

  • In our hierarchical virtual screening service, several filters that use ligands and structure-based methods are applied sequentially to reduce the large screening library to a number sufficient for experimental testing.
  • In the initial steps of HLVS, computationally inexpensive ligand-based methods such as similarity search are used.
  • Once the number of compounds to be screened is reduced to a reasonable number, methods such as molecular docking that require higher computational resources will be used.
  • The final step involves visual selection of compounds based on our expertise and literature knowledge.

Our services

Project name Hybrid Method for Virtual Screening Service
Samples requirements Our hybrid method for virtual screening service requires you to provide specific requirements.
Screening cycle Decide according to your needs.
Service including We provide you with raw data and analysis service.
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Features

  • Combine virtual screening methods based on ligands and structures.
  • Hierarchical, parallel and hybrid virtual screening.
  • Protein-ligand pharmacophore modeling.
  • Integrate superb visual options.

Related Services:

ComputaBio' hybrid method for virtual screening service can significantly increase the hit rate of lead compounds and reduce the cost of later experimental screening. Hybrid Method for Virtual Screening 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.

* It should be noted that our service is only used for research, not for clinical use.

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