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LigandBox: A database for 3D structures of chemical compounds

A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercia...

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Detalles Bibliográficos
Autores principales:	Kawabata, Takeshi, Sugihara, Yusuke, Fukunishi, Yoshifumi, Nakamura, Haruki
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Biophysical Society of Japan (BSJ) 2013
Materias:	Databases and Computer Programs
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629684/ https://www.ncbi.nlm.nih.gov/pubmed/27493549 http://dx.doi.org/10.2142/biophysics.9.113

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