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Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking
In molecular docking, it is challenging to develop a scoring function which is accurate to conduct high throughput screenings (HTS). Most scoring functions implemented in popular docking software packages were developed with many approximations for computational efficiency, which sacrifices the accu...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2010
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3043139/ https://ncbi.nlm.nih.gov/pubmed/20949517 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21666 |
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