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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing
Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules and their pharmacologically relevant protein targe...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4946785/ https://www.ncbi.nlm.nih.gov/pubmed/27420300 http://dx.doi.org/10.1371/journal.pone.0158898 |