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Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand

RosettaLigand has been successfully used to predict binding poses in protein-small molecule complexes. However, the RosettaLigand docking protocol is comparatively slow in identifying an initial starting pose for the small molecule (ligand) making it unfeasible for use in virtual High Throughput Scr...

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Pubblicato in:PLoS One
Autori principali: DeLuca, Samuel, Khar, Karen, Meiler, Jens
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2015
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4514752/
https://ncbi.nlm.nih.gov/pubmed/26207742
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0132508
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