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Conformational transition states of a β-hairpin peptide between the ordered and disordered conformations in explicit water
The conformational transition states of a β-hairpin peptide in explicit water were identified from the free energy landscapes obtained from the multicanonical ensemble, using an enhanced conformational sampling calculation. The β-hairpin conformations were significant at 300 K in the landscape, and...
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| Main Authors: | , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
Cold Spring Harbor Laboratory Press
2002
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2373694/ https://ncbi.nlm.nih.gov/pubmed/12237452 |
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