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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...
Autores principales: | Fogolari, Federico, Corazza, Alessandra, Fortuna, Sara, Soler, Miguel Angel, VanSchouwen, Bryan, Brancolini, Giorgia, Corni, Stefano, Melacini, Giuseppe, Esposito, Gennaro |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4503633/ https://www.ncbi.nlm.nih.gov/pubmed/26177039 http://dx.doi.org/10.1371/journal.pone.0132356 |
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