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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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Detalhes bibliográficos
Main Authors: Kaufmann, Kristian W., Meiler, Jens
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3519832/
https://ncbi.nlm.nih.gov/pubmed/23239984
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0050769
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