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AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared to the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy of...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3041641/ https://ncbi.nlm.nih.gov/pubmed/19499576 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21334 |
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