<p>(A) RMSD profile of Nbp35-Cfd1 complex for all-atoms (red), backbone atoms (blue) and side chain (green) plotted as a function of time (B) Root mean square fluctuation for Nbp35 and Cfd1 plotted against time from MD simulation.</p
<p>Over a 10 ns span the RMSD remains very low, below 0.75 Å for trace alpha carbons of the PECr com...
<p>Backbone RMSD versus time plot during the 30 ns molecular dynamics simulation for Glucocorticoid ...
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
(A) RMSF profiles and (B) RMSD distribution calculated for analyzed systems of cruzain. Each paramet...
<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 Root Mean Square Fluctuations (RMSF) profile of RpfCc of the 60 ns MD simulation versus t...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>(A) Plot of the Backbone RMSD of TAZ2 along the simulation. The MD was fitted against the average...
<p>Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...
<p>The first 2 ns correspond to equilibration, and the following 5 ns correspond to the first part o...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<p>Over a 10 ns span the RMSD remains very low, below 0.75 Å for trace alpha carbons of the PECr com...
<p>Backbone RMSD versus time plot during the 30 ns molecular dynamics simulation for Glucocorticoid ...
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
(A) RMSF profiles and (B) RMSD distribution calculated for analyzed systems of cruzain. Each paramet...
<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 Root Mean Square Fluctuations (RMSF) profile of RpfCc of the 60 ns MD simulation versus t...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>(A) Plot of the Backbone RMSD of TAZ2 along the simulation. The MD was fitted against the average...
<p>Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...
<p>The first 2 ns correspond to equilibration, and the following 5 ns correspond to the first part o...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<p>Over a 10 ns span the RMSD remains very low, below 0.75 Å for trace alpha carbons of the PECr com...
<p>Backbone RMSD versus time plot during the 30 ns molecular dynamics simulation for Glucocorticoid ...
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...