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A method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening

We examined the procedures to combine two different in silico drug-screening results to achieve a high hit ratio. When the 3D structure of the target protein and some active compounds are known, both structure-based and ligand-based in silico screening methods can be applied. In the present study, t...

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Detalles Bibliográficos
Autores principales: Omagari, Katsumi, Mitomo, Daisuke, Kubota, Satoru, Nakamura, Haruki, Fukunishi, Yoshifumi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Dove Medical Press 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3169939/
https://www.ncbi.nlm.nih.gov/pubmed/21918604