<p>The total simulation time is the sum of the simulation time of the separate MDs. The number in parentheses represents the number of independent simulations. The total association time is the sum of the time of association of the TM domains observed along the separate MDs. The percentage of the association time of the right-handed structures (R) and the left-handed (L) structures is calculated over the total association time.</p><p>The values of the crossing angle and the inter-helix distances (COM distances and contact distances) are an average calculated over the last 10 µs of each of the simulations in the cases of the NRP1 homodimer and the heterodimer. For the PLXA1 homodimer the values are an average calculated over the total time o...
We show the construction of a novel coarse grain model for simulations of HIV capsid assembly based ...
<p>(A) Specific enrichment of anionic lipids (cardiolipin and DPPG) within a 1 nm distance of the pr...
<p>Estimated k<sub>on</sub> rates (in μm<sup>2</sup>/s) along with (2.5,97.5) confidence intervals.<...
<p>RMSD maps and crossing angles illustrate the right-handed association of the TM domains NRP1-NRP1...
Simulations of spontaneous dimer formation of 5 TM domain dimers in DLPC bilayers. Simulations are p...
<p>(A): initial state. The final states (t = 200 ns) generated in dimer-R1 (B) and dimer-R2 (C); tim...
<p>A. The initial system configuration consists of the DAP12 dimer (blue) and NKG2C TM (green) in a ...
<p>Top: right-handed structure of the NRP1 homodimer and the NRP1-PLXA1 heterodimer. Bottom: left-ha...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p><b>A</b> The ensemble of structures from a single simulation, fitted on the hinge region (marked)...
<p>a). Two models (c1.2, left and c1.1, right) for the plexin-C1 TM-JM dimer connected by helical se...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
<p>(A) Cα RMSDs over the course of the simulations, for dimers from tet-1 & tet-2 (shades of gre...
<p><b>A.</b> Contact probabilities of TF residues with P1 in four TF-P1 Touching and Hugging Complex...
AbstractWe show the construction of a novel coarse grain model for simulations of HIV capsid assembl...
We show the construction of a novel coarse grain model for simulations of HIV capsid assembly based ...
<p>(A) Specific enrichment of anionic lipids (cardiolipin and DPPG) within a 1 nm distance of the pr...
<p>Estimated k<sub>on</sub> rates (in μm<sup>2</sup>/s) along with (2.5,97.5) confidence intervals.<...
<p>RMSD maps and crossing angles illustrate the right-handed association of the TM domains NRP1-NRP1...
Simulations of spontaneous dimer formation of 5 TM domain dimers in DLPC bilayers. Simulations are p...
<p>(A): initial state. The final states (t = 200 ns) generated in dimer-R1 (B) and dimer-R2 (C); tim...
<p>A. The initial system configuration consists of the DAP12 dimer (blue) and NKG2C TM (green) in a ...
<p>Top: right-handed structure of the NRP1 homodimer and the NRP1-PLXA1 heterodimer. Bottom: left-ha...
<p>Colors black, red and blue represent different independent simulations. (A) Time series of RMSD o...
<p><b>A</b> The ensemble of structures from a single simulation, fitted on the hinge region (marked)...
<p>a). Two models (c1.2, left and c1.1, right) for the plexin-C1 TM-JM dimer connected by helical se...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
<p>(A) Cα RMSDs over the course of the simulations, for dimers from tet-1 & tet-2 (shades of gre...
<p><b>A.</b> Contact probabilities of TF residues with P1 in four TF-P1 Touching and Hugging Complex...
AbstractWe show the construction of a novel coarse grain model for simulations of HIV capsid assembl...
We show the construction of a novel coarse grain model for simulations of HIV capsid assembly based ...
<p>(A) Specific enrichment of anionic lipids (cardiolipin and DPPG) within a 1 nm distance of the pr...
<p>Estimated k<sub>on</sub> rates (in μm<sup>2</sup>/s) along with (2.5,97.5) confidence intervals.<...