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Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

BACKGROUND: In structure-based drug design, binding affinity prediction remains as a challenging goal for current scoring functions. Development of target-biased scoring functions provides a new possibility for tackling this problem, but this approach is also associated with certain technical diffic...

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Detalles Bibliográficos
Autores principales:	Liu, Jie, Su, Minyi, Liu, Zhihai, Li, Jie, Li, Yan, Wang, Renxiao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2017
Materias:	Methodology Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5516336/ https://www.ncbi.nlm.nih.gov/pubmed/28720122 http://dx.doi.org/10.1186/s12859-017-1750-5

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