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Exploring the Helix-Coil Transition via All-Atom Equilibrium Ensemble Simulations
The ensemble folding of two 21-residue α-helical peptides has been studied using all-atom simulations under several variants of the AMBER potential in explicit solvent using a global distributed computing network. Our extensive sampling, orders of magnitude greater than the experimental folding time...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Biophysical Society
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1305346/ https://ncbi.nlm.nih.gov/pubmed/15665128 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.051938 |
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