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Surflex-Dock: Docking Benchmarks and Real-World Application
Benchmarks for molecular docking have historically focused on re-docking the cognate ligand of a well-determined protein-ligand complex to measure geometric pose prediction accuracy, and measurement of virtual screening performance has been focused on increasingly large and diverse sets of target pr...
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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
2012
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3398190/ https://ncbi.nlm.nih.gov/pubmed/22569590 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-011-9533-y |
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