Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors

The crystallized ligands in the Protein Data Bank (PDB) can be treated as the inverse shapes of the active sites of corresponding proteins. Therefore, the shape similarity between a molecule and PDB ligands indicated the possibility of the molecule to bind with the targets. In this paper, we propose...

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Detalles Bibliográficos
Autores principales: Hu, Ben, Kuang, Zheng-Kun, Feng, Shi-Yu, Wang, Dong, He, Song-Bing, Kong, De-Xin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273508/
https://www.ncbi.nlm.nih.gov/pubmed/27869685
http://dx.doi.org/10.3390/molecules21111554

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273508/
https://www.ncbi.nlm.nih.gov/pubmed/27869685
http://dx.doi.org/10.3390/molecules21111554

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