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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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Detalles Bibliográficos
Autores principales:	Bureau, Hailey R., Merz, Dale R., Hershkovits, Eli, Quirk, Stephen, Hernandez, Rigoberto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4430545/ https://www.ncbi.nlm.nih.gov/pubmed/25970521 http://dx.doi.org/10.1371/journal.pone.0127034

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