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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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Detalhes bibliográficos
Main Authors: Xie, Zhong-Ru, Hwang, Ming-Jing
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2010
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3098071/
https://ncbi.nlm.nih.gov/pubmed/20525216
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-298
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