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BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library
The interaction of a small molecule with a protein target depends on its ability to adopt a three-dimensional structure that is complementary. Therefore, complete and rapid prediction of the conformational space a small molecule can sample is critical for both structure- and ligand-based drug discov...
Uloženo v:
| Vydáno v: | J Cheminform |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Springer International Publishing
2015
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4607025/ https://ncbi.nlm.nih.gov/pubmed/26473018 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0095-1 |
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