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Representation of target-bound drugs by computed conformers: implications for conformational libraries

BACKGROUND: The increasing number of known protein structures provides valuable information about pharmaceutical targets. Drug binding sites are identifiable and suitable lead compounds can be proposed. The flexibility of ligands is a critical point for the selection of potential drugs. Since comput...

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Detalhes bibliográficos
Main Authors: Günther, Stefan, Senger, Christian, Michalsky, Elke, Goede, Andrean, Preissner, Robert
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1523373/
https://ncbi.nlm.nih.gov/pubmed/16764718
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-7-293
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