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Transition Pathway and Its Free-Energy Profile: A Protocol for Protein Folding Simulations

We propose a protocol that provides a systematic definition of reaction coordinate and related free-energy profile as the function of temperature for the protein-folding simulation. First, using action-derived molecular dynamics (ADMD), we investigate the dynamic folding pathway model of a protein b...

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Detalles Bibliográficos
Autores principales:	Lee, In-Ho, Kim, Seung-Yeon, Lee, Jooyoung
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3759899/ https://www.ncbi.nlm.nih.gov/pubmed/23917881 http://dx.doi.org/10.3390/ijms140816058

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