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Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing
Molecular docking computationally screens thousands to millions of organic molecules against protein structures, looking for those with complementary fits. Many approximations are made, often resulting in low “hit rates.” A strategy to overcome these approximations is to rescore top-ranked docked mo...
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| Autores principales: | , , , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2008
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2752715/ https://ncbi.nlm.nih.gov/pubmed/18280498 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2008.01.049 |
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