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Application of MM/PBSA colony free energy to loop decoy discrimination: Toward correlation between energy and root mean square deviation
Accurate free energy estimation is needed in many predictive tasks. The molecular mechanics/Poisson-Boltzmann solvent accessible surface area (MM/PBSA) approach has proven to be accurate. However, the correlation between the estimated free energy and the distance (e.g., root mean square deviation [R...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Cold Spring Harbor Laboratory Press
2005
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2253447/ https://ncbi.nlm.nih.gov/pubmed/15772305 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.041004105 |
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