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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 t...

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Autors principals: Ohkubo, Y. Zenmei, Brooks, Charles L.
Format: Artigo
Idioma:Inglês
Publicat: National Academy of Sciences 2003
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC283521/
https://ncbi.nlm.nih.gov/pubmed/14615586
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.2334257100
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