The DINGO dataset: a comprehensive set of data for the SAMPL challenge

Part of the latest SAMPL challenge was to predict how a small fragment library of 500 commercially available compounds would bind to a protein target. In order to assess the modellers’ work, a reasonably comprehensive set of data was collected using a number of techniques. These included surface pla...

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Detalles Bibliográficos
Autores principales: Newman, Janet, Dolezal, Olan, Fazio, Vincent, Caradoc-Davies, Tom, Peat, Thomas S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2011
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3382646/
https://www.ncbi.nlm.nih.gov/pubmed/22187139
http://dx.doi.org/10.1007/s10822-011-9521-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3382646/
https://www.ncbi.nlm.nih.gov/pubmed/22187139
http://dx.doi.org/10.1007/s10822-011-9521-2

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