<p>The protein is shown in cartoon representation with explicit depiction of positively charged residues (arginine: blue, lysine: red). Lipid molecules have been removed except for the head groups that are depicted as grey spheres. Potassium ions are shown in green, chloride ions in blue. The c-terminus is located on the bottom side.</p
<p>The simulation volume contains at least 73,000 water molecules, appearing here as a reddish haze ...
<p>(A) Overall representative structure of the XfOhr-SH (cyan), E51A-XfOhr (orange) and R19A-XfOhr (...
<p>The molecular dynamic simulation used in system calculation are, (a) water box surround the entir...
<p>The protein is shown in cartoon representation with the location of positively charged amino acid...
<p>AdK was initially in the closed conformation in this particular simulation. The AMPbd, LID, and C...
<p>Protein (in cartoon representation) embedded into fully solvated POPC lipids slab (yellow lines) ...
<p>The cartoon represents reduced and oxidized leptin, seen in the <i>top-</i> and <i>bottom panel</...
<p>A) A typical starting configuration for npc2 in the water phase, above the membrane. B) Final con...
Figure 1: Two renderings of a protein (BPTI) taken from a molecular dynamics simulation on Anton. (a...
<p>The protein is shown as cartoon, overlaid with its semi-transparent surface representation. Amino...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The molar ratio of liposome formulation is DPPC:DSPE-PEG:cholesterol:SA-Vn 55∶2∶15∶0.41. Gray, re...
<p>The empty molecule and the K<sup>b</sup>/C-terminally truncated peptide complex show high flexibi...
<p>The protein backbone is represented as a cartoon, whereas PLM, heme and Lys50 are displayed as st...
DMD Snapshots of (A) CATCH(6K+/6D-) and (B) CATCH(6K+/6E-) over the course of a 16 μs DMD simulation...
<p>The simulation volume contains at least 73,000 water molecules, appearing here as a reddish haze ...
<p>(A) Overall representative structure of the XfOhr-SH (cyan), E51A-XfOhr (orange) and R19A-XfOhr (...
<p>The molecular dynamic simulation used in system calculation are, (a) water box surround the entir...
<p>The protein is shown in cartoon representation with the location of positively charged amino acid...
<p>AdK was initially in the closed conformation in this particular simulation. The AMPbd, LID, and C...
<p>Protein (in cartoon representation) embedded into fully solvated POPC lipids slab (yellow lines) ...
<p>The cartoon represents reduced and oxidized leptin, seen in the <i>top-</i> and <i>bottom panel</...
<p>A) A typical starting configuration for npc2 in the water phase, above the membrane. B) Final con...
Figure 1: Two renderings of a protein (BPTI) taken from a molecular dynamics simulation on Anton. (a...
<p>The protein is shown as cartoon, overlaid with its semi-transparent surface representation. Amino...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The molar ratio of liposome formulation is DPPC:DSPE-PEG:cholesterol:SA-Vn 55∶2∶15∶0.41. Gray, re...
<p>The empty molecule and the K<sup>b</sup>/C-terminally truncated peptide complex show high flexibi...
<p>The protein backbone is represented as a cartoon, whereas PLM, heme and Lys50 are displayed as st...
DMD Snapshots of (A) CATCH(6K+/6D-) and (B) CATCH(6K+/6E-) over the course of a 16 μs DMD simulation...
<p>The simulation volume contains at least 73,000 water molecules, appearing here as a reddish haze ...
<p>(A) Overall representative structure of the XfOhr-SH (cyan), E51A-XfOhr (orange) and R19A-XfOhr (...
<p>The molecular dynamic simulation used in system calculation are, (a) water box surround the entir...