<p>The four combinations are for angles of: ; ; ; and (in <i>A</i>, <i>B</i>, <i>C</i>, and <i>D</i>, respectively). The PMFs have depths of (<i>A</i>); (<i>B</i>); (<i>C</i>); and (<i>D</i>). In <i>B</i>, the minimum, labelled , and the two local minima, labelled and , correspond to inter-protein separations at which different numbers of lipids can optimally occupy the intervening region between the two proteins, as explained in the main text and illustrated in <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003417#pcbi-1003417-g003" target="_blank">Figure 3</a>.</p
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...
We have developed BLEEP (biomolecular ligand energy evaluation protocol), an atomic level potential ...
<p>The inter-protein center of mass distances (in Å) at the start of the unbiased simulations is den...
<p>(<i>A</i>) The atomistic structure of NanC is shown in the plane of the bilayer, which is perpend...
We present a solvent-implicit minimalistic model potential among the amino acid residues of proteins...
Membrane proteins are frequently present in crowded environments, which favour lateral association a...
<p>(<i>A</i>–<i>C</i>) Snapshots taken from umbrella sampling windows for the orientational configur...
<p>A: three PPs with varying net-charge, constant hydrophobicity and dipole moment; B: the two PPs w...
<p>The PMF profiles correspond to the right-handed structure of the dimers in both bilayers. The PMF...
<p>(A) Surface representation of the localization of ligand in the binding cavity of metatyrosinase....
Molecular dynamics (MD) simulations offer the possibility to study biological processes at high spat...
We introduce PMF*, a novel Potential of Mean Force (PMF) for the Ramachandran Φ/Ψ-dihedral plot of t...
A. The Potential of Mean Force (PMF) is shown with bootstrap error bars (green) for HD5 insertion in...
Understanding protein structure is of crucial importance in science, medicine and biotechnology. For...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...
We have developed BLEEP (biomolecular ligand energy evaluation protocol), an atomic level potential ...
<p>The inter-protein center of mass distances (in Å) at the start of the unbiased simulations is den...
<p>(<i>A</i>) The atomistic structure of NanC is shown in the plane of the bilayer, which is perpend...
We present a solvent-implicit minimalistic model potential among the amino acid residues of proteins...
Membrane proteins are frequently present in crowded environments, which favour lateral association a...
<p>(<i>A</i>–<i>C</i>) Snapshots taken from umbrella sampling windows for the orientational configur...
<p>A: three PPs with varying net-charge, constant hydrophobicity and dipole moment; B: the two PPs w...
<p>The PMF profiles correspond to the right-handed structure of the dimers in both bilayers. The PMF...
<p>(A) Surface representation of the localization of ligand in the binding cavity of metatyrosinase....
Molecular dynamics (MD) simulations offer the possibility to study biological processes at high spat...
We introduce PMF*, a novel Potential of Mean Force (PMF) for the Ramachandran Φ/Ψ-dihedral plot of t...
A. The Potential of Mean Force (PMF) is shown with bootstrap error bars (green) for HD5 insertion in...
Understanding protein structure is of crucial importance in science, medicine and biotechnology. For...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...
We have developed BLEEP (biomolecular ligand energy evaluation protocol), an atomic level potential ...
<p>The inter-protein center of mass distances (in Å) at the start of the unbiased simulations is den...