<p>Data obtained from simulations of the free dimer (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0060582#pone-0060582-g003" target="_blank"><b>Figure 3</b></a>) and the POD+CC complex (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0060582#pone-0060582-g006" target="_blank"><b>Figure 6</b></a>), using the atomistic model, the CG model with ELNEDYN network with a uniform elastic network constant of 500 or 200 kJ mol<sup>−1</sup>nm<sup>−2</sup> or the IDEN elastic network.</p
Understanding the relationships between the structure of polymer networks and their mechanical prope...
AbstractWe present a method to parameterize heterogeneous elastic network models (heteroENMs) of pro...
A tensile blob construction for branched structures is used to explain structural sizes larger than ...
<p>Open histograms: RMSDs within the monomers; shaded histograms: RMSDs of dimers. (A) atomistic sim...
<p>(A) atomistic simulation; (B) CG simulation with ELNEDYN network (spring constant: 200 kJ mol<sup...
<p>(A) Superposition of the initial structure (gray) of the atomistic MD simulation and the average ...
<p>RMSDs of transmembrane helix backbone beads determined from 100 coarse-grained (CG) homodimerizat...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p>(A) Schematic representation of the system model used for the cMD. (B) Representative U-U pair ty...
<p>(A) Optimized distance dependent force constant (γ). Closest nodes are weighted by 12 (arbitrary ...
<p><i>Note.</i><i>n</i> = number of nodes; <i>m</i> = number of edges; <i>n</i><sub><i>CC</i></sub> ...
<p>(A) Free energy landscape of metadynamics simulation. The brown dotted outline corresponds to the...
<p>Illustrations of (a) all-atom elastic network models (AAENMs) from the crystal structures, and th...
ABSTRACT: Understanding the functions of biomolecules requires insight not only from structures but ...
AbstractWe present a method to parameterize heterogeneous elastic network models (heteroENMs) of pro...
Understanding the relationships between the structure of polymer networks and their mechanical prope...
AbstractWe present a method to parameterize heterogeneous elastic network models (heteroENMs) of pro...
A tensile blob construction for branched structures is used to explain structural sizes larger than ...
<p>Open histograms: RMSDs within the monomers; shaded histograms: RMSDs of dimers. (A) atomistic sim...
<p>(A) atomistic simulation; (B) CG simulation with ELNEDYN network (spring constant: 200 kJ mol<sup...
<p>(A) Superposition of the initial structure (gray) of the atomistic MD simulation and the average ...
<p>RMSDs of transmembrane helix backbone beads determined from 100 coarse-grained (CG) homodimerizat...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p>(A) Schematic representation of the system model used for the cMD. (B) Representative U-U pair ty...
<p>(A) Optimized distance dependent force constant (γ). Closest nodes are weighted by 12 (arbitrary ...
<p><i>Note.</i><i>n</i> = number of nodes; <i>m</i> = number of edges; <i>n</i><sub><i>CC</i></sub> ...
<p>(A) Free energy landscape of metadynamics simulation. The brown dotted outline corresponds to the...
<p>Illustrations of (a) all-atom elastic network models (AAENMs) from the crystal structures, and th...
ABSTRACT: Understanding the functions of biomolecules requires insight not only from structures but ...
AbstractWe present a method to parameterize heterogeneous elastic network models (heteroENMs) of pro...
Understanding the relationships between the structure of polymer networks and their mechanical prope...
AbstractWe present a method to parameterize heterogeneous elastic network models (heteroENMs) of pro...
A tensile blob construction for branched structures is used to explain structural sizes larger than ...