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Multiscale Coarse-Graining of the Protein Energy Landscape

A variety of coarse-grained (CG) models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilib...

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Detalles Bibliográficos
Autores principales: Hills, Ronald D., Lu, Lanyuan, Voth, Gregory A.
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2891700/
https://www.ncbi.nlm.nih.gov/pubmed/20585614
http://dx.doi.org/10.1371/journal.pcbi.1000827