<p>(A) The contact (hydrogen bonds) maps from molecular dynamics simulation of GP120; (B-F) Snapshots of the interactions between coevolving residues in protein sector of gp120 during molecular dynamics simulations of 0 ns, 1 ns, 2 ns, 5 ns, and 10 ns separately.</p
Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach t...
<p>(A) RMSD trajectory of the protein backbone in reference to the structure obtained subsequent to ...
<p>(A) Number of residues of PfSUB1 interacting with each residue of PcFK1 on average from the 10 MD...
<p>For the represented snapshots of MD simulations (<a href="http://www.plosone.org/article/info:doi...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The interacting residues forms hydrogen bond, hydrophobic, and cation- π interactions are listed....
<p>Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</p
Protein-protein interactions are at the basis of many protein functions, and the knowledge of 3D str...
AbstractEarly events in aggregation of proteins are not easily accessible by experiments. In this wo...
<p>(A) RMSD trajectory of the protein backbone in reference to the structure obtained subsequent to ...
<p>Comparison between the sequences of the full and sparse GMEC for the surface design of domain of ...
<p>Only those interactions that were stable over more than 30% of the simulation time are reported. ...
Early events in aggregation of proteins are not easily accessible by experiments. In this work, we p...
Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach t...
<p>(a) and (b) are contact maps showing the number of conformations where a contact was found betwee...
Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach t...
<p>(A) RMSD trajectory of the protein backbone in reference to the structure obtained subsequent to ...
<p>(A) Number of residues of PfSUB1 interacting with each residue of PcFK1 on average from the 10 MD...
<p>For the represented snapshots of MD simulations (<a href="http://www.plosone.org/article/info:doi...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The interacting residues forms hydrogen bond, hydrophobic, and cation- π interactions are listed....
<p>Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</p
Protein-protein interactions are at the basis of many protein functions, and the knowledge of 3D str...
AbstractEarly events in aggregation of proteins are not easily accessible by experiments. In this wo...
<p>(A) RMSD trajectory of the protein backbone in reference to the structure obtained subsequent to ...
<p>Comparison between the sequences of the full and sparse GMEC for the surface design of domain of ...
<p>Only those interactions that were stable over more than 30% of the simulation time are reported. ...
Early events in aggregation of proteins are not easily accessible by experiments. In this work, we p...
Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach t...
<p>(a) and (b) are contact maps showing the number of conformations where a contact was found betwee...
Coarse-grained molecular dynamics (CG-MD) may be applied as part of a multiscale modeling approach t...
<p>(A) RMSD trajectory of the protein backbone in reference to the structure obtained subsequent to ...
<p>(A) Number of residues of PfSUB1 interacting with each residue of PcFK1 on average from the 10 MD...
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