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Rotamer Optimization for Protein Design through MAP Estimation and Problem-Size Reduction
The search for the global minimum energy conformation (GMEC) of protein side chains is an important computational challenge in protein structure prediction and design. Using rotamer models, the problem is formulated as a NP-hard optimization problem. Dead-end elimination (DEE) methods combined with...
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| Autores principales: | , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2009
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3495010/ https://ncbi.nlm.nih.gov/pubmed/19123203 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21188 |
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