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De Novo Design

NCE (new chemical entities) is strictly protected by patents and has substantial economic benefits. At present, major pharmaceutical companies in the world are committed to the research and development of NCE. De novo drug design technology is one of the CADD technologies applicable to NCE research and development. It is a drug molecule design method based on the three-dimensional structure of the receptor. This technology analyzes the target molecule's active site and constructs a drug molecule that matches the active site.

Process of our De novo Design services

Step1

 Analyze the active site of the target to determine the distribution of active sites, potential fields and key functional residues.

Step2

 Use different strategies to put the basic building blocks into the active site and generate completed new molecules.

Step3

 Calculate the binding energy of new molecules and receptor molecules to predict biological activity.

Our simulation services

Project name De novo Design
Samples requriements Our drug design service requires you to provide specific drug screening requirements.
Detection cycle Decide according to your needs.
Service including We provide you with raw data and calculation result analysis service.
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Features

The advantage of the de novo design technology is to provide new ideas for the development of new drugs, make full use of the structural information of known compounds, and to a certain extent avoid the waste of research and development resources and accelerate the speed of new drug development. It has strong feasibility and broad development prospects, and may become an important tool for new drug research and development.

De novo Design

Popular strategies for protein engineering:

  • Rational design
  • De novo design
  • Directed evolution
  • Semi-rational design

Applications of De novo Design

Our advantage

  • Computer aided drug design save a lot of labor costs.
  • Short calculation period and fast speed.
  • The funds required are far less than biological or chemical experiments.
  • High calculation accuracy.

Related services

CD ComputaBio is a professional and efficient team. The team has more than 40% of employees with master degree, doctor degree and above. Treating customers' projects CD ComputaBio is racing against time, mission must be reached, efficient and timely delivery of tasks, customer satisfaction and trust. If you have drug design needs, 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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