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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 |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science
2015
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| Soggetti: | |
| 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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