Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations.

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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Bibliographic Details
Main Authors: Federico Fogolari, Alessandra Corazza, Sara Fortuna, Miguel Angel Soler, Bryan VanSchouwen, Giorgia Brancolini, Stefano Corni, Giuseppe Melacini, Gennaro Esposito
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2015-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC4503633?pdf=render

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http://europepmc.org/articles/PMC4503633?pdf=render

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