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Molecular Mechanism for Stabilizing a Short Helical Peptide Studied by Generalized-Ensemble Simulations with Explicit Solvent
We study the folding mechanism of an analog of the C-peptide of ribonuclease A in explicit water by a replica-exchange multicanonical molecular dynamics simulation based on all-atom models. The multicanonical weight factor was determined by the combined use of the multicanonical replica-exchange met...
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Biophysical Society
2005
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1305468/ https://ncbi.nlm.nih.gov/pubmed/15749777 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.049429 |
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