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Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method
A parallel implementation of the finite-temperature string method is described, which takes into account the invariance of coordinates with respect to rigid-body motions. The method is applied to the complex α-helix↔β-sheet transition in a β-hairpin miniprotein in implicit solvent, which exhibits mu...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2014
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4032436/ https://ncbi.nlm.nih.gov/pubmed/24811667 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4871685 |
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