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Interfacial folding and membrane insertion of designed peptides studied by molecular dynamics simulations

The mechanism of interfacial folding and membrane insertion of designed peptides is explored by using an implicit membrane generalized Born model and replica-exchange molecular dynamics. Folding/insertion simulations initiated from fully extended peptide conformations in the aqueous phase, at least...

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Autori principali: Im, Wonpil, Brooks, Charles L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2005
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1100747/
https://ncbi.nlm.nih.gov/pubmed/15860587
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408135102
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