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A machine learning based method to improve docking scoring functions and its application to drug repurposing
Docking scoring functions are notoriously weak predictors of binding affinity. They typically assign a common set of weights to the individual energy terms that contribute to the overall energy score, however, these weights should be gene family-dependent. In addition, they incorrectly assume that i...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3076728/ https://ncbi.nlm.nih.gov/pubmed/21291174 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100369f |
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