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PyPLIF: Python-based Protein-Ligand Interaction Fingerprinting
Structure-based virtual screening (SBVS) methods often rely on docking score. The docking score is an over-simplification of the actual ligand-target binding. Its capability to model and predict the actual binding reality is limited. Recently, interaction fingerprinting (IFP) has come and offered us...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Biomedical Informatics
2013
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3607193/ https://ncbi.nlm.nih.gov/pubmed/23559752 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.6026/97320630009325 |
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