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• W2071794983 abstract "Several molecular dynamics (MD) simulations were used to sample conformations in the neighborhood of the native structure of holo-myoglobin (holo-Mb), collecting trajectories spanning 0.22 micros at 300 K. Principal component (PCA) and free-energy landscape (FEL) analyses, integrated by cluster analysis, which was performed considering the position and structures of the individual helices of the globin fold, were carried out. The coherence between the different structural clusters and the basins of the FEL, together with the convergence of parameters derived by PCA indicates that an accurate description of the Mb conformational space around the native state was achieved by multiple MD trajectories spanning at least 0.14 micros. The integration of FEL, PCA, and structural clustering was shown to be a very useful approach to gain an overall view of the conformational landscape accessible to a protein and to identify representative protein substates. This method could be also used to investigate the conformational and dynamical properties of Mb apo-, mutant, or delete versions, in which greater conformational variability is expected and, therefore identification of representative substates from the simulations is relevant to disclose structure-function relationship." @default.
• W2071794983 created "2016-06-24" @default.
• W2071794983 creator A5006808667 @default.
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• W2071794983 creator A5051881392 @default.
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• W2071794983 creator A5089976447 @default.
• W2071794983 date "2009-06-01" @default.
• W2071794983 modified "2023-10-17" @default.
• W2071794983 title "Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case" @default.
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• W2071794983 cites W1657193990 @default.
• W2071794983 cites W1970534998 @default.
• W2071794983 cites W1972350105 @default.
• W2071794983 cites W1976118414 @default.
• W2071794983 cites W1977630495 @default.
• W2071794983 cites W1978905296 @default.
• W2071794983 cites W1979765083 @default.
• W2071794983 cites W1979948778 @default.
• W2071794983 cites W1981651060 @default.
• W2071794983 cites W1985037445 @default.
• W2071794983 cites W1996939437 @default.
• W2071794983 cites W2001753219 @default.
• W2071794983 cites W2004607866 @default.
• W2071794983 cites W2005133754 @default.
• W2071794983 cites W2008708467 @default.
• W2071794983 cites W2013792107 @default.
• W2071794983 cites W2015110061 @default.
• W2071794983 cites W2017246074 @default.
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• W2071794983 cites W2024225780 @default.
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• W2071794983 cites W2034549650 @default.
• W2071794983 cites W2040503203 @default.
• W2071794983 cites W2044245086 @default.
• W2071794983 cites W2044898140 @default.
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• W2071794983 cites W2078316206 @default.
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• W2071794983 doi "https://doi.org/10.1016/j.jmgm.2009.01.006" @default.
• W2071794983 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19264523" @default.
• W2071794983 hasPublicationYear "2009" @default.
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