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chemical space docking

 
PDB: 4q9z
REAL Space compound: s22__13977710__5904110

combining the best

The ability to explore chemical spaces is becoming more and more important in the drug discovery process. Today BioSolveIT is already a leader in this field through its similarity-search technology and the possibility to screen billions of compounds (e.g. 13 billion in the Enamine REAL Space). Given our experience in docking software, we are ready to go to the next level: Chemical Space Docking. We do not only want to find virtual compounds of interest by means of similarity, we also want to dock these virtual products on the fly. Chemical Space Docking will be the next ground-breaking invention, which empowers the medicinal chemist to find new structures. While this is not available as an end-user product yet, we already have the technical means and can offer you our service to perform Chemical Space Docking based on your target and the Enamine REAL Space. For you this can be a giant leap forward in your drug design project.
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