<p>The 2d free energy surface <i>W</i>(<i>Q</i><sub>i</sub>,<i>Q</i><sub>a</sub>) was generated from a total of 200 µsec simulation data present in <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1000047#pcbi-1000047-g003" target="_blank">Figure 3 (bottom)</a>. The structural network was taken from the <i>T</i>(5) and the color code for each cluster is the same as in <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1000047#pcbi-1000047-g006" target="_blank">Figure 6</a>. Each cluster falls nicely on top of the 2d free energy surface. Two representative reactive paths (as shown later in <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1000047#pcbi-1000047-g008" ta...
<p>The dashed line follows the free energy change to minimum within our largest cluster, where the c...
<p>Blue arrows are the gradients ∇<i>F</i> from one prepared complete free energy surface in a 500 n...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
<div><p>(A) Pattern 6 of <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi....
<p><b>A-</b>O<sub>2</sub> free energy landscape obtained from the ILS calculations. Two isosurface c...
<p>(A) Free energy landscape of metadynamics simulation. The brown dotted outline corresponds to the...
<p>(A) and 2QAD (B). The black circles show the free energy minima basins in the landscape, correspo...
Figure S10. The two-dimensional free energy landscape (FEL) based on RMSD and Rg on 200ns simulation...
<p><b>A</b>: Free energy. <b>B</b>: Energy contribution . <b>C</b>: Entropy contribution . Two dimen...
<p>2-D free energy surfaces of barstar position on <i>x-y</i> plane of barnase: Two distributions ar...
<p>Free energy landscapes versus (A) the principal components <i>PC</i>-1 and <i>PC</i>-2, and (B) t...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
A. The free energy landscape for RBD/RNA using Qf and PC0 as the two order parameters. B. The free e...
<p>On left side of the figure the network is randomly placed over the desired metric space (in this ...
A variety of methods are developed for characterising the free energy landscapes of continuum, Landa...
<p>The dashed line follows the free energy change to minimum within our largest cluster, where the c...
<p>Blue arrows are the gradients ∇<i>F</i> from one prepared complete free energy surface in a 500 n...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
<div><p>(A) Pattern 6 of <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi....
<p><b>A-</b>O<sub>2</sub> free energy landscape obtained from the ILS calculations. Two isosurface c...
<p>(A) Free energy landscape of metadynamics simulation. The brown dotted outline corresponds to the...
<p>(A) and 2QAD (B). The black circles show the free energy minima basins in the landscape, correspo...
Figure S10. The two-dimensional free energy landscape (FEL) based on RMSD and Rg on 200ns simulation...
<p><b>A</b>: Free energy. <b>B</b>: Energy contribution . <b>C</b>: Entropy contribution . Two dimen...
<p>2-D free energy surfaces of barstar position on <i>x-y</i> plane of barnase: Two distributions ar...
<p>Free energy landscapes versus (A) the principal components <i>PC</i>-1 and <i>PC</i>-2, and (B) t...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
A. The free energy landscape for RBD/RNA using Qf and PC0 as the two order parameters. B. The free e...
<p>On left side of the figure the network is randomly placed over the desired metric space (in this ...
A variety of methods are developed for characterising the free energy landscapes of continuum, Landa...
<p>The dashed line follows the free energy change to minimum within our largest cluster, where the c...
<p>Blue arrows are the gradients ∇<i>F</i> from one prepared complete free energy surface in a 500 n...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...