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...

Descripción completa

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

Internet

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

Ejemplares similares