Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which is often performed using quasi-harmonic or histogram analysis. An entirely different approach, proposed recently, estimates local density distribution around each conformational sample by measuring t...

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Publicado en:PLoS One
Autores principales: Fogolari, Federico, Corazza, Alessandra, Fortuna, Sara, Soler, Miguel Angel, VanSchouwen, Bryan, Brancolini, Giorgia, Corni, Stefano, Melacini, Giuseppe, Esposito, Gennaro
Formato: Artigo
Lenguaje:Inglês
Publicado: Public Library of Science 2015
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Research Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4503633/
https://ncbi.nlm.nih.gov/pubmed/26177039
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0132356
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