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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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Detalhes bibliográficos
Main Authors: Newman, Janet, Dolezal, Olan, Fazio, Vincent, Caradoc-Davies, Tom, Peat, Thomas S.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Netherlands 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3382646/
https://ncbi.nlm.nih.gov/pubmed/22187139
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-011-9521-2
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