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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Biomedical Informatics
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3607193/ https://www.ncbi.nlm.nih.gov/pubmed/23559752 http://dx.doi.org/10.6026/97320630009325 |