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Correcting the impact of docking pose generation error on binding affinity prediction
BACKGROUND: Pose generation error is usually quantified as the difference between the geometry of the pose generated by the docking software and that of the same molecule co-crystallised with the considered protein. Surprisingly, the impact of this error on binding affinity prediction is yet to be s...
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| Publicado no: | BMC Bioinformatics |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5046193/ https://ncbi.nlm.nih.gov/pubmed/28185549 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-016-1169-4 |
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