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Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method

A parallel implementation of the finite-temperature string method is described, which takes into account the invariance of coordinates with respect to rigid-body motions. The method is applied to the complex α-helix↔β-sheet transition in a β-hairpin miniprotein in implicit solvent, which exhibits mu...

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Detalhes bibliográficos
Main Authors: Ovchinnikov, Victor, Karplus, Martin
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4032436/
https://ncbi.nlm.nih.gov/pubmed/24811667
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4871685
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