NCE (new chemical entities) is strictly protected by patents and has huge 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 structure information of the receptor. Based on the three-dimensional structure of the receptor, it analyzes the active site of the target molecule and constructs a drug molecule that matches the active site.
De Novo Design
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