An Infrastructure to Mine Molecular Descriptors for Ligand Selection on Virtual Screening

The receptor-ligand interaction evaluation is one important step in rational drug design. The databases that provide the structures of the ligands are growing on a daily basis. This makes it impossible to test all the ligands for a target receptor. Hence, a ligand selection before testing the ligand...

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Detalles Bibliográficos
Autores principales: Seus, Vinicius Rosa, Perazzo, Giovanni Xavier, Winck, Ana T., Werhli, Adriano V., Machado, Karina S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2014
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4000951/
https://www.ncbi.nlm.nih.gov/pubmed/24812613
http://dx.doi.org/10.1155/2014/325959

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4000951/
https://www.ncbi.nlm.nih.gov/pubmed/24812613
http://dx.doi.org/10.1155/2014/325959

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