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Exploring Flory's isolated-pair hypothesis: Statistical mechanics of helix–coil transitions in polyalanine and the C-peptide from RNase A

To evaluate Flory's isolated-pair hypothesis in the context of helical peptides, we explore equilibrium conformations of α-helix-forming polypeptides as a function of temperature by means of replica exchange molecular dynamics in conjunction with the CHARMM/GB implicit solvent force field and the we...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Ohkubo, Y. Zenmei, Brooks, Charles L.
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2003
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Online-Zugang:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC283521/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14615586/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.2334257100
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