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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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| 主要な著者: | , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Chemical Society
2014
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4170813/ https://ncbi.nlm.nih.gov/pubmed/25116840 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500319f |
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