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Recyclization Rate of a Photocleaved Peptide from Multiscale Simulation.

The article presents a study which examines the conformational changes that multiscale simulation can bring to the recyclization rate and dynamics of photocleaved peptide. It states that the study validated the energy surface of the peptide based from the density functional theory (DFT). It mentions...

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Publicado en:Journal of the American Chemical Society Vol. 132; no. 6; pp. 1778 - 1780
Autores principales: Nieber, Harald, Hellweg, Arnim, Dottsinis, Nikos L.
Formato: Artículo
Publicado: American Chemical Society 2/17/2010
Materias:
Protein folding
Molecular dynamics
Density functionals
Polypeptides
Potential energy surfaces
Recombinant proteins
Acceso en línea:Ver este registro en EBSCOhost
Sumario:The article presents a study which examines the conformational changes that multiscale simulation can bring to the recyclization rate and dynamics of photocleaved peptide. It states that the study validated the energy surface of the peptide based from the density functional theory (DFT). It mentions that classical molecular dynamics (CMD) simulation was used to assess the recombination of photocleavage. It concludes that condensed phase triggers the blockage of photocleavage in protein folding.