The monomers are placed to interact weakly with each other, the smallest
periodic-box size prohibiting interactions between a molecule with its image
is estimated. A set of log-Gaussian restraints are imposed on both
-monomers for protein-protein docking, and only on the first monomer for
+monomers for protein-protein docking, and only on the first chain for
protein-peptide docking.
<p>
Use the "Save & submit" button to start calculations.
should be noted that the "100%" accomplishment refers to the production
phase of a job, after which the postprocessing phase is triggered which also
takes some time and whose progress is not monitored. The page is
-autorefreshed every 30 sec. <p> Any single job can by accessed later (for
+autorefreshed every 30 sec. <p> Any single job can be accessed later (for
at least 14 days) using the address of the web page displayed after job
submission: e.g.
http://unres-server.chem.ug.edu.pl/details1/570cf15fc638493893ece1f011ea0182/984/
<p>
<p>
After a UNRES-Dock MREMD run is accomplished, the same data
-as for regules MREMD run is shown:
+as for reguler MREMD run is shown:
a table showing replica-exchange statistics
(a), plots of histograms of UNRES energy for each temperature (b), a plot of
energy vs. temperature (c), a temperature-colored scatter plot of energy vs. RMSD
The weighted histogram analysis method (WHAM) is applied to compute the
probabilities of the obtained complexes to occur at particular
temperatures and, consequently, the plots of heat capacity
-(g) and ensemble-averaged RMSD (h) as a functions
+(g) and ensemble-averaged RMSD (h) as functions
of temperature; these are shown in the respective graphs.
<p>
<a href="static/dock9.png"><img src="static/dock9.png" width="300px"></a>(g)
Note! Panels are labeled in this tutorial only and labels are not displayed
in the outputs from real server jobs.
<p>
-Finally cluster analysis is performed to select 5 families of complexes,
-and representative model from each family is converted to all-atom
+Finally, cluster analysis is performed to select 5 families of complexes,
+and representative model from each family is converted to all-atom structure
and refined. Models are shown using NGL Viewer.
PDB files can be downloaded by clicking on the <i>Download</i> button.
<p>
in the outputs from real server jobs.
<p>
Finally cluster analysis is performed to select 5 families of conformations,
-and representative model from each family is converted to all-atom
+and representative model from each family is converted to all-atom structure
and refined. Models are shown using NGL Viewer.
PDB files can be downloaded by clicking on the <i>Download</i> button.
<p>