A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins

Herein, we present a novel Hamiltonian replica exchange protocol for classical molecular dynamics simulations of protein folding/unfolding. The scheme starts from the analysis of the energy-networks responsible for the stabilization of the folded conformation, by means of the energy-decomposition ap...

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Detalles Bibliográficos
Autores principales: Meli, Massimiliano, Colombo, Giorgio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3709779/
https://www.ncbi.nlm.nih.gov/pubmed/23743827
http://dx.doi.org/10.3390/ijms140612157

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3709779/
https://www.ncbi.nlm.nih.gov/pubmed/23743827
http://dx.doi.org/10.3390/ijms140612157

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