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Hydrophobic Aided Replica Exchange: an Efficient Algorithm for Protein Folding in Explicit Solvent
A hydrophobic aided replica exchange method (HAREM) is introduced to accelerate the simulation of all-atom protein folding in explicit solvent. This method is based on exaggerating the hydrophobic effect of various protein amino acids in water by attenuating the protein-water attractive interactions...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2006
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3057047/ https://ncbi.nlm.nih.gov/pubmed/16986898 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp060365r |
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