Cargando…
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...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4514752/ https://www.ncbi.nlm.nih.gov/pubmed/26207742 http://dx.doi.org/10.1371/journal.pone.0132508 |