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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...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2838872/ https://www.ncbi.nlm.nih.gov/pubmed/20175916 http://dx.doi.org/10.1186/1471-2105-11-99 |