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A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
BACKGROUND: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug design. A classical assumption in structural biology is that proteins with similar 3D structures have related molecular funct...
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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
BioMed Central
2010
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2838872/ https://ncbi.nlm.nih.gov/pubmed/20175916 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-99 |
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