Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

We present the performance of HADDOCK, our information-driven docking software, in the second edition of the D3R Grand Challenge. In this blind experiment, participants were requested to predict the structures and binding affinities of complexes between the Farnesoid X nuclear receptor and 102 diffe...

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Detalles Bibliográficos
Autores principales: Kurkcuoglu, Zeynep, Koukos, Panagiotis I., Citro, Nevia, Trellet, Mikael E., Rodrigues, J. P. G. L. M., Moreira, Irina S., Roel-Touris, Jorge, Melquiond, Adrien S. J., Geng, Cunliang, Schaarschmidt, Jörg, Xue, Li C., Vangone, Anna, Bonvin, A. M. J. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5767195/
https://www.ncbi.nlm.nih.gov/pubmed/28831657
http://dx.doi.org/10.1007/s10822-017-0049-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5767195/
https://www.ncbi.nlm.nih.gov/pubmed/28831657
http://dx.doi.org/10.1007/s10822-017-0049-y

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