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Structural Protein–Ligand Interaction Fingerprints (SPLIF) for Structure-Based Virtual Screening: Method and Benchmark Study

[Image: see text] Accurate and affordable assessment of ligand–protein affinity for structure-based virtual screening (SB-VS) is a standing challenge. Hence, empirical postdocking filters making use of various types of structure–activity information may prove useful. Here, we introduce one such filt...

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Detalles Bibliográficos
Autores principales:	Da, C., Kireev, D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4170813/ https://www.ncbi.nlm.nih.gov/pubmed/25116840 http://dx.doi.org/10.1021/ci500319f

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