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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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Bibliografske podrobnosti
Glavni avtor: Totrov, Maxim
Format: Artigo
Jezik:Inglês
Izdano: BioMed Central 2011
Teme:
Online dostop: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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