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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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Bibliografski detalji
Glavni autori: Meli, Massimiliano, Colombo, Giorgio
Format: Artigo
Jezik:Inglês
Izdano: Molecular Diversity Preservation International (MDPI) 2013
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3709779/
https://ncbi.nlm.nih.gov/pubmed/23743827
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms140612157
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