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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...
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| Pubblicato in: | PLoS One |
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| Autori principali: | , , , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science
2016
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4946785/ https://ncbi.nlm.nih.gov/pubmed/27420300 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0158898 |
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