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Variability in docking success rates due to dataset preparation

The results of cognate docking with the prepared Astex dataset provided by the organizers of the “Docking and Scoring: A Review of Docking Programs” session at the 241st ACS national meeting are presented. The MOE software with the newly developed GBVI/WSA dG scoring function is used throughout the...

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Detalles Bibliográficos
Autores principales: Corbeil, Christopher R., Williams, Christopher I., Labute, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3397132/
https://www.ncbi.nlm.nih.gov/pubmed/22566074
http://dx.doi.org/10.1007/s10822-012-9570-1