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Using RosettaLigand for Small Molecule Docking into Comparative Models

Computational small molecule docking into comparative models of proteins is widely used to query protein function and in the development of small molecule therapeutics. We benchmark RosettaLigand docking into comparative models for nine proteins built during CASP8 that contain ligands. We supplement...

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Detalles Bibliográficos
Autores principales: Kaufmann, Kristian W., Meiler, Jens
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3519832/
https://www.ncbi.nlm.nih.gov/pubmed/23239984
http://dx.doi.org/10.1371/journal.pone.0050769