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Generating reservoir conformations for replica exchange through the use of the conformational space annealing method
Temperature replica exchange molecular dynamics (T-REM) has been successfully used to improve the conformational search for model peptides and small proteins. However, for larger and more complicated systems, the use of T-REM is computationally intensive since the complexity of the free energy lands...
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| Autores principales: | , , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2013
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3621806/ https://ncbi.nlm.nih.gov/pubmed/23585739 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300996m |
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