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Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
We describe a general methodology for designing an empirical scoring function and provide smina, a version of AutoDock Vina specially optimized to support high-throughput scoring and user-specified custom scoring functions. Using our general method, the unique capabilities of smina, a set of default...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3726561/ https://ncbi.nlm.nih.gov/pubmed/23379370 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300604z |
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