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Integrating docking scores and key interaction profiles to improve the accuracy of molecular docking: towards novel B-Raf(V600E) inhibitors
A set of ninety-eight B-Raf(V600E) inhibitors was used for the development of a molecular docking based QSAR model using linear and non-linear regression models. The integration of docking scores and key interaction profiles significantly improved the accuracy of the QSAR models, providing reasonabl...
Gorde:
| Argitaratua izan da: | Medchemcomm |
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| Egile Nagusiak: | , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Royal Society of Chemistry
2017
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6084233/ https://ncbi.nlm.nih.gov/pubmed/30108894 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7md00229g |
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