<p>The grayed region denoted ‘monomer’ is that in which the PMF curves were aligned to free-energy = 0. The dashed lines, shown at r = 3.12 nm, 3.64 nm, 3.80 nm, 4.00 nm, 4.60 nm, and 5.40 nm, indicate the values of separation at which the inter-protomer contacts were assessed.</p
<p>(A). Interfacial surface area buried for both monomers; (B) Number of interfacial hydrogen-bonds ...
<p><b>A.</b> Contact probabilities of TF residues with P1 in four TF-P1 Touching and Hugging Complex...
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...
<p>A) PMF of the simulations without restraints of E53 is depicted as solid line. (B) PMF of the sim...
<p>Cut-off value is shortest inter-protomer contact distance less than 4.8 Å between any atoms, for ...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
<p><b>A.</b> Work-extension graphs of each trajectory (dashed lines) and average work (bold solid li...
<p>Panel (A) shows results obtained for the TM4/3 interface of B1AR (red) and B2AR (blue) homodimers...
<p>The crystal structure contact surfaces are shown (on grey background) and additional distances ar...
<p>Overlay of MDFF refined model (ribbons) and the cryoEM density (gray) at the strongest 2-mer site...
The PMFPredictor toolkit enables the prediction of the potentials of mean force describing the inter...
International audienceThe influence of defects at the metal-organic framework (MOF) surface on the m...
<p>The error bars represent standard deviations from two independent sets of Umbrella sampling calcu...
<p>(<i>A</i>–<i>C</i>) Snapshots taken from umbrella sampling windows for the orientational configur...
<p>The PMF profiles correspond to the right-handed structure of the dimers in both bilayers. The PMF...
<p>(A). Interfacial surface area buried for both monomers; (B) Number of interfacial hydrogen-bonds ...
<p><b>A.</b> Contact probabilities of TF residues with P1 in four TF-P1 Touching and Hugging Complex...
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...
<p>A) PMF of the simulations without restraints of E53 is depicted as solid line. (B) PMF of the sim...
<p>Cut-off value is shortest inter-protomer contact distance less than 4.8 Å between any atoms, for ...
<p>The PMFs correspond to the separation of the monomers associated in right-handed interactions (R)...
<p><b>A.</b> Work-extension graphs of each trajectory (dashed lines) and average work (bold solid li...
<p>Panel (A) shows results obtained for the TM4/3 interface of B1AR (red) and B2AR (blue) homodimers...
<p>The crystal structure contact surfaces are shown (on grey background) and additional distances ar...
<p>Overlay of MDFF refined model (ribbons) and the cryoEM density (gray) at the strongest 2-mer site...
The PMFPredictor toolkit enables the prediction of the potentials of mean force describing the inter...
International audienceThe influence of defects at the metal-organic framework (MOF) surface on the m...
<p>The error bars represent standard deviations from two independent sets of Umbrella sampling calcu...
<p>(<i>A</i>–<i>C</i>) Snapshots taken from umbrella sampling windows for the orientational configur...
<p>The PMF profiles correspond to the right-handed structure of the dimers in both bilayers. The PMF...
<p>(A). Interfacial surface area buried for both monomers; (B) Number of interfacial hydrogen-bonds ...
<p><b>A.</b> Contact probabilities of TF residues with P1 in four TF-P1 Touching and Hugging Complex...
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of pro...