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Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage mini protein
We study the unbiased folding/unfolding thermodynamics of the Trp-cage miniprotein using detailed molecular dynamics simulations of an all-atom model of the protein in explicit solvent, using the Amberff99SB force field. Replica-exchange molecular dynamics (REMD) simulations are used to sample the p...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2010
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3534748/ https://ncbi.nlm.nih.gov/pubmed/20408169 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22702 |
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