<p>Open histograms: RMSDs within the monomers; shaded histograms: RMSDs of dimers. (A) atomistic simulation (400 ns); (B) CG simulation with ELNEDYN network (spring constant: 500 kJ mol<sup>−1</sup>nm<sup>−2</sup>); (C) CG simulation with ELNEDYN network (spring constant: 200 kJ mol<sup>−1</sup>nm<sup>−2</sup>); (D) CG simulation with IDEN elastic network.</p
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
<p>Data obtained from simulations of the free dimer (<a href="http://www.plosone.org/article/info:do...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
MD Simulation RMSD Plot of C-alpha atoms in proteins and ligands (A) Hesperetin (B) Curcumin (C) Iso...
<p>A) Average of the backbone RMSD (without loops) of ten opening ED simulations. The open crystal s...
<p>RMSDs of transmembrane helix backbone beads determined from 100 coarse-grained (CG) homodimerizat...
<p>Panel A : RMSD of MalE2 along the simulation, with respect to the starting structures at pH 4.0 (...
(A) RMSF profiles and (B) RMSD distribution calculated for analyzed systems of cruzain. Each paramet...
<p>Left: GluK2-<i>trans</i> complex; right: GluK2-<i>cis</i> complex. Data obtained from five indepe...
<p>Proteins Cα (A), heavy atoms of NADPH cofactor (B) and substrate cortisone (C) are plotted as fun...
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
<p>Data obtained from simulations of the free dimer (<a href="http://www.plosone.org/article/info:do...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
MD Simulation RMSD Plot of C-alpha atoms in proteins and ligands (A) Hesperetin (B) Curcumin (C) Iso...
<p>A) Average of the backbone RMSD (without loops) of ten opening ED simulations. The open crystal s...
<p>RMSDs of transmembrane helix backbone beads determined from 100 coarse-grained (CG) homodimerizat...
<p>Panel A : RMSD of MalE2 along the simulation, with respect to the starting structures at pH 4.0 (...
(A) RMSF profiles and (B) RMSD distribution calculated for analyzed systems of cruzain. Each paramet...
<p>Left: GluK2-<i>trans</i> complex; right: GluK2-<i>cis</i> complex. Data obtained from five indepe...
<p>Proteins Cα (A), heavy atoms of NADPH cofactor (B) and substrate cortisone (C) are plotted as fun...
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...