<p>The root mean square deviation (RMSD) of SpA for one trajectory as a function of time for simulations in water and different NaCl solutions at pH 7.0.</p
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...
Explicit analyses of ligand RMSD in 200 ns MD simulation (All units are in nm).</p
<p>Average values plus standard deviation of physical chemical water parameters, according to locati...
<p>The root mean square of deviation (RMSD) (average of all ten parallel simulations in the same con...
<p>Root mean square deviations (RMSDs) of the alpha-carbon positions during 10,000-ps simulations.</...
<p>RMSD for (a) CCR2 and (b) CCR5 Cα from the initial structures throughout the simulation of 5 ns a...
<p>Average backbone RMSD (Å) and standard deviation values with respect to the corresponding startin...
<p>Root mean square deviations (RMSDs) of the coiled-coil region, the unfolded helix in coiled-coil ...
<p>(A) 28 ns; (B) 170 ns; (C) 280 ns; (D) 436 ns. The Fc fragment of hIgG1 is depicted by the surfac...
<p>Root mean square deviations (RMSDs) of the alpha-carbon positions for S188V-3CP and DehE-3CP duri...
The molecular dynamic results: A) the root mean square deviation (RMSD) for the free and the associa...
Root mean square deviation (RMSD) plots for (a) Mpro-CHEMBL1940602 (b) Mpro-CHEMBL2036486 (c) Mpro-C...
<p>RMSD trajectory of the protein-ligand complex obtained after MD simulation study.</p
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>The RMSD traces of the 2 different simulations of GroEL following an RMS fit to the average struc...
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...
Explicit analyses of ligand RMSD in 200 ns MD simulation (All units are in nm).</p
<p>Average values plus standard deviation of physical chemical water parameters, according to locati...
<p>The root mean square of deviation (RMSD) (average of all ten parallel simulations in the same con...
<p>Root mean square deviations (RMSDs) of the alpha-carbon positions during 10,000-ps simulations.</...
<p>RMSD for (a) CCR2 and (b) CCR5 Cα from the initial structures throughout the simulation of 5 ns a...
<p>Average backbone RMSD (Å) and standard deviation values with respect to the corresponding startin...
<p>Root mean square deviations (RMSDs) of the coiled-coil region, the unfolded helix in coiled-coil ...
<p>(A) 28 ns; (B) 170 ns; (C) 280 ns; (D) 436 ns. The Fc fragment of hIgG1 is depicted by the surfac...
<p>Root mean square deviations (RMSDs) of the alpha-carbon positions for S188V-3CP and DehE-3CP duri...
The molecular dynamic results: A) the root mean square deviation (RMSD) for the free and the associa...
Root mean square deviation (RMSD) plots for (a) Mpro-CHEMBL1940602 (b) Mpro-CHEMBL2036486 (c) Mpro-C...
<p>RMSD trajectory of the protein-ligand complex obtained after MD simulation study.</p
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>The RMSD traces of the 2 different simulations of GroEL following an RMS fit to the average struc...
<p>(A) Backbone RMSD with respect to the starting structure during the entire course of 100 ns MD si...
Explicit analyses of ligand RMSD in 200 ns MD simulation (All units are in nm).</p
<p>Average values plus standard deviation of physical chemical water parameters, according to locati...
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