<p>(a) CENP-A-NCP and (b) H3-NCP. The B-factor values of the main chain heavy atoms calculated using 100 ns MD trajectories are mapped onto the structures in different colors, where lower values are denoted in blue and higher values in red. Residues with higher B-factor values are also denoted by tubes with a greater radius. The figures were prepared using PyMol (The PyMOL Molecular Graphics System, Schrödinger, LLC).</p
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>The Cα atoms of systems <b>hn</b> (A), <b>hm</b> (B), <b>gn</b> (C), and <b>gm</b> (D) are calcul...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<p>The structures of (A) WT, (B) G12D and, (C) G13D KRAS proteins are drawn in cartoon putty represe...
<p>The fluctuations were calculated using 100-ns long trajectories. CENP-A-NCP (black) and H3-NCP (r...
Atomic fluctuations (RMSF: Å) plotted along the CA residues for the domains CA− (a-d) and CA* (e-h)....
(A) The aligned native and mutant PAF structures can be seen after clustering the MD trajectories an...
(A) Alignment of PAF and PAFD53S/D55S structures can be seen after clustering the MD trajectories an...
<p>a) MSF of residues averaged over atoms obtained from CND, ENM normal modes and MD simulation for ...
<p>Panel (A) represents the average fluctuations of Cα atoms represented by B-factors per residue ca...
<p>A-B) MHC-II-P<sub>7w</sub> complex. C-D) MHC-II-P<sub>7m</sub>. E-F) MHC-II-P<sub>22w</sub> and G...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>A) Root mean square fluctuations for atomistic droplet simulations. Loop regions are marked with ...
(A) Aligned PAF and PAFD53S/D55S structures can be seen after clustering the MD trajectories and sel...
<p>Initial (upper panels) and final (lower panels) configurations of the 100 ns simulations of L-BAB...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>The Cα atoms of systems <b>hn</b> (A), <b>hm</b> (B), <b>gn</b> (C), and <b>gm</b> (D) are calcul...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<p>The structures of (A) WT, (B) G12D and, (C) G13D KRAS proteins are drawn in cartoon putty represe...
<p>The fluctuations were calculated using 100-ns long trajectories. CENP-A-NCP (black) and H3-NCP (r...
Atomic fluctuations (RMSF: Å) plotted along the CA residues for the domains CA− (a-d) and CA* (e-h)....
(A) The aligned native and mutant PAF structures can be seen after clustering the MD trajectories an...
(A) Alignment of PAF and PAFD53S/D55S structures can be seen after clustering the MD trajectories an...
<p>a) MSF of residues averaged over atoms obtained from CND, ENM normal modes and MD simulation for ...
<p>Panel (A) represents the average fluctuations of Cα atoms represented by B-factors per residue ca...
<p>A-B) MHC-II-P<sub>7w</sub> complex. C-D) MHC-II-P<sub>7m</sub>. E-F) MHC-II-P<sub>22w</sub> and G...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>A) Root mean square fluctuations for atomistic droplet simulations. Loop regions are marked with ...
(A) Aligned PAF and PAFD53S/D55S structures can be seen after clustering the MD trajectories and sel...
<p>Initial (upper panels) and final (lower panels) configurations of the 100 ns simulations of L-BAB...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>The Cα atoms of systems <b>hn</b> (A), <b>hm</b> (B), <b>gn</b> (C), and <b>gm</b> (D) are calcul...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...