A. The 1D Free energy profile for RNA-free RBD and SUMO2/RBD complex using PC0 as the order parameter. B. The 1D Free energy profile for RNA-bound RBD and SUMO2/RBD complex using PC0 as the order parameter. The free energy of the open state (PC0 equals 10 ∼ 30) is significantly increased upon RBD binding with SUMO2 protein. (EPS)</p
<p>(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...
<p><b>Free energy profiles plotted as a function of the total number of unwrapped bps (a) and (b), o...
(A) βManAo and (B) βManAo-M3 complex. The βManAo-M3 complex had lower subset of energy to reach the ...
A. The free energy landscape for RBD/RNA using Qf and PC0 as the two order parameters. B. The free e...
A. 1D free energy profiles for RNA dissociation from the RRMs (left), RBD (middle) and SUMO2/RBD com...
A. The free energy landscape for RBD plotted using Qf and PC0 as the two order parameters. Qf is the...
Binding energy for SIM/SUMO2 complex. Additional potentials. Simulation methods: Equilibrum simulati...
The binding free energies of ACE2, SPB25 and all designed peptides to RBD of the omicron variant as ...
<p>The free energy as a function of the fraction of native contacts for the knotted protein (A) and ...
<p>The points in the plots represent Rosetta generated protein structure models. In column 1 and 3, ...
For the RRMs and the RBD, the RNA dissociation is a two-step process: RNA dissociation from RRM2 is ...
<p>The 10,000 conformations evaluated for our optimized RosettaDock scoring function are shown in bl...
A. One example of the initial structure for the SUMO2/RBD complex structure prediction. The SUMO2 pr...
A. Clustering analysis for the predicted structures of the SUMO2/RBD complex using mutual Q (includi...
Absolute binding free energy calculations and free energy decompositions are presented for the prote...
<p>(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...
<p><b>Free energy profiles plotted as a function of the total number of unwrapped bps (a) and (b), o...
(A) βManAo and (B) βManAo-M3 complex. The βManAo-M3 complex had lower subset of energy to reach the ...
A. The free energy landscape for RBD/RNA using Qf and PC0 as the two order parameters. B. The free e...
A. 1D free energy profiles for RNA dissociation from the RRMs (left), RBD (middle) and SUMO2/RBD com...
A. The free energy landscape for RBD plotted using Qf and PC0 as the two order parameters. Qf is the...
Binding energy for SIM/SUMO2 complex. Additional potentials. Simulation methods: Equilibrum simulati...
The binding free energies of ACE2, SPB25 and all designed peptides to RBD of the omicron variant as ...
<p>The free energy as a function of the fraction of native contacts for the knotted protein (A) and ...
<p>The points in the plots represent Rosetta generated protein structure models. In column 1 and 3, ...
For the RRMs and the RBD, the RNA dissociation is a two-step process: RNA dissociation from RRM2 is ...
<p>The 10,000 conformations evaluated for our optimized RosettaDock scoring function are shown in bl...
A. One example of the initial structure for the SUMO2/RBD complex structure prediction. The SUMO2 pr...
A. Clustering analysis for the predicted structures of the SUMO2/RBD complex using mutual Q (includi...
Absolute binding free energy calculations and free energy decompositions are presented for the prote...
<p>(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...
<p><b>Free energy profiles plotted as a function of the total number of unwrapped bps (a) and (b), o...
(A) βManAo and (B) βManAo-M3 complex. The βManAo-M3 complex had lower subset of energy to reach the ...