<p>Each coloured line in (A) and (C) represents the distribution of the fraction of simulation time spent by the cavity pairs of a protein above a given threshold (0.5 for (A) and 0.25 for (C)). The obtention of this distribution is explained in <i><a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0119978#sec002" target="_blank">Materials and Methods</a></i> and illustrated in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0119978#pone.0119978.g004" target="_blank">Fig. 4</a> for a single protein. The distinguishing feature in (B) and (C) is that we plot in grey all proteins with 100 ns trajectories, and in black the cases with simulation lengths above 100 ns.</p
Nanosecond molecular dynamics simulations of bovine pancreatic trypsin inhibitor and lysozyme in wat...
<p>For a set of cavity pairs overlapping the functional and allosteric sites, we plot the fluctuatio...
<p>For each set in Q<sub>60</sub>, Q<sub>20</sub> and V<sub>60</sub>, 100 randomly chosen structures...
<p>We divided into two the contribution of each protein to <a href="http://www.plosone.org/article/i...
<p>The figure illustrates the fact that during its native dynamics, a protein may populate regions o...
<div><p>Couplings between protein sub-structures are a common property of protein dynamics. Some of ...
Couplings between protein sub-structures are a common property of protein dynamics. Some of these co...
Couplings between protein sub-structures are a common property of protein dynamics. Some of these co...
<p><b>a)</b> Each point displays the structure dissimilarity (<i>x</i> axis) vs. the dynamics dissim...
<p>WT is shown as a blue triangle and mutant I155A as a red diamond. (A) <i>T</i><sub>m</sub> calcul...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
Protein cavities and tunnels are critical for function. Ligand recognition and binding, transport, a...
Motivation: The function of a protein depends not only on its struc-ture, but also on its dynamics. ...
Identification of correlated residues in proteins is very important for many areas of protein resear...
Identification of correlated residues in proteins is very important for many areas of protein resear...
Nanosecond molecular dynamics simulations of bovine pancreatic trypsin inhibitor and lysozyme in wat...
<p>For a set of cavity pairs overlapping the functional and allosteric sites, we plot the fluctuatio...
<p>For each set in Q<sub>60</sub>, Q<sub>20</sub> and V<sub>60</sub>, 100 randomly chosen structures...
<p>We divided into two the contribution of each protein to <a href="http://www.plosone.org/article/i...
<p>The figure illustrates the fact that during its native dynamics, a protein may populate regions o...
<div><p>Couplings between protein sub-structures are a common property of protein dynamics. Some of ...
Couplings between protein sub-structures are a common property of protein dynamics. Some of these co...
Couplings between protein sub-structures are a common property of protein dynamics. Some of these co...
<p><b>a)</b> Each point displays the structure dissimilarity (<i>x</i> axis) vs. the dynamics dissim...
<p>WT is shown as a blue triangle and mutant I155A as a red diamond. (A) <i>T</i><sub>m</sub> calcul...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
Protein cavities and tunnels are critical for function. Ligand recognition and binding, transport, a...
Motivation: The function of a protein depends not only on its struc-ture, but also on its dynamics. ...
Identification of correlated residues in proteins is very important for many areas of protein resear...
Identification of correlated residues in proteins is very important for many areas of protein resear...
Nanosecond molecular dynamics simulations of bovine pancreatic trypsin inhibitor and lysozyme in wat...
<p>For a set of cavity pairs overlapping the functional and allosteric sites, we plot the fluctuatio...
<p>For each set in Q<sub>60</sub>, Q<sub>20</sub> and V<sub>60</sub>, 100 randomly chosen structures...