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A simple reference state makes a significant improvement in near-native selections from structurally refined docking decoys
Near-native selections from docking decoys have proved challenging especially when unbound proteins are used in the molecular docking. One reason is that significant atomic clashes in docking decoys lead to poor predictions of binding affinities of near native decoys. Atomic clashes can be removed b...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Wiley Subscription Services, Inc., A Wiley Company
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2673351/ https://ncbi.nlm.nih.gov/pubmed/17623864 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.21498 |
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