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Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive steered molecular dynamics (ASMD) has been seen to provide a significant comput...
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| Publicado no: | PLoS One |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4430545/ https://ncbi.nlm.nih.gov/pubmed/25970521 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0127034 |
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