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Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites
A new binding site comparison algorithm using optimal superposition of the continuous pharmacophoric property distributions is reported. The method demonstrates high sensitivity in discovering both, distantly homologous and convergent binding sites. Good quality of superposition is also observed on...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2011
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3044291/ https://ncbi.nlm.nih.gov/pubmed/21342566 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-12-S1-S35 |
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