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An interaction-motif-based scoring function for protein-ligand docking

BACKGROUND: A good scoring function is essential for molecular docking computations. In conventional scoring functions, energy terms modeling pairwise interactions are cumulatively summed, and the best docking solution is selected. Here, we propose to transform protein-ligand interactions into three...

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Detalles Bibliográficos
Autores principales: Xie, Zhong-Ru, Hwang, Ming-Jing
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3098071/
https://www.ncbi.nlm.nih.gov/pubmed/20525216
http://dx.doi.org/10.1186/1471-2105-11-298