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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Detalles Bibliográficos
Autores principales: Li, Hongjian, Leung, Kwong-Sak, Wong, Man-Hon, Ballester, Pedro J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2016
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5046193/
https://www.ncbi.nlm.nih.gov/pubmed/28185549
http://dx.doi.org/10.1186/s12859-016-1169-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5046193/
https://www.ncbi.nlm.nih.gov/pubmed/28185549
http://dx.doi.org/10.1186/s12859-016-1169-4

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