There, scattered among structures inactive at their investigated target, drug hunters can find beautiful, golden. The vast entirety of the Chemical Space features an unimaginable amount of compounds. Want to know more about Chemical Space Docking? Read here. We are proud to introduce the infiniSee 4 update 'Pandora' which will shed a new light into Chemical Space exploration and compound handling. For you this can be a giant leap forward in your drug design project. While this is not available as an end-user product yet, we already have the technical means and can offer you our services to perform Chemical Space Docking based on your target and the Enamine REAL Space™. Chemical Space Docking will be the next ground-breaking invention, which empowers medicinal chemists to find new structures. 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. A library of 12,000 fragments is included by default in the 12.1 update and another, larger library with over 120,000 individual fragments is available as download for users who desire even more diversity and possibilities for their. Given our experience in docking software, we are ready to go to the next level: Chemical Space Docking. The paper has just been submitted, and a command line version of the tool will be made available as well. over 44 billion in the Enamine REAL Space™). Today, BioSolveIT is already a leader in this field through its similarity-search technology and the possibility to screen billions of compounds (e.g. The ability to explore Chemical Spaces is becoming more and more important in the drug discovery process.
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