<p>Initial (upper panels) and final (lower panels) configurations of the 100 ns simulations of L-BABP with EDMPC at pH 6.8, 10 mM NaCl. B-EDMPC1 (panels A and C) and B-EDMPC2 (panels B and D). The arrows represent the macrodipoles. N atoms in choline and O atoms in phosphate groups are in blue and red respectively.</p
<p>CHARMM36 POPC 50% POPE 50% bilayer simulation (300 K, starting structure from CHARMM-GUI with 128...
<p>The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are re...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>Initial (upper panels) and final (lower panels) configurations of ReP1-NCXSQ in EDMPC at pH = 6.8...
<p>(a) CENP-A-NCP and (b) H3-NCP. The B-factor values of the main chain heavy atoms calculated using...
<p>A) A typical starting configuration for npc2 in the water phase, above the membrane. B) Final con...
MacRog POPC/POPE 1:1 bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file wa...
MD simulations of four phosphatidylcholine bilayers and monolayers with different acyl chains. The C...
<p>Structures of the substrate binding pockets from LmbC (A–C) and LmbC G308V (D–F) homology models ...
<p>The gold balls represent the phosphorus atoms of the membrane bilayer. Three key residues, W491, ...
<p>A: MD runs APO1 (red) and APO2 (firebrick). B: MD runs ADP1 (blue) and ADP2 (light blue). C: MD r...
Membranes consisting of 260 DAPC and 28 (10 mol%) cholesterol molecules were simulated at various te...
Input files and final structures (after 1 microsecond) of simulations of Mcl-1, Bax, and Bok transme...
Membranes consisting of 260 phospholipids varying levels of chain unsaturation together with 28 (10 ...
MacRog POPC pure bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file was mo...
<p>CHARMM36 POPC 50% POPE 50% bilayer simulation (300 K, starting structure from CHARMM-GUI with 128...
<p>The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are re...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>Initial (upper panels) and final (lower panels) configurations of ReP1-NCXSQ in EDMPC at pH = 6.8...
<p>(a) CENP-A-NCP and (b) H3-NCP. The B-factor values of the main chain heavy atoms calculated using...
<p>A) A typical starting configuration for npc2 in the water phase, above the membrane. B) Final con...
MacRog POPC/POPE 1:1 bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file wa...
MD simulations of four phosphatidylcholine bilayers and monolayers with different acyl chains. The C...
<p>Structures of the substrate binding pockets from LmbC (A–C) and LmbC G308V (D–F) homology models ...
<p>The gold balls represent the phosphorus atoms of the membrane bilayer. Three key residues, W491, ...
<p>A: MD runs APO1 (red) and APO2 (firebrick). B: MD runs ADP1 (blue) and ADP2 (light blue). C: MD r...
Membranes consisting of 260 DAPC and 28 (10 mol%) cholesterol molecules were simulated at various te...
Input files and final structures (after 1 microsecond) of simulations of Mcl-1, Bax, and Bok transme...
Membranes consisting of 260 phospholipids varying levels of chain unsaturation together with 28 (10 ...
MacRog POPC pure bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file was mo...
<p>CHARMM36 POPC 50% POPE 50% bilayer simulation (300 K, starting structure from CHARMM-GUI with 128...
<p>The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are re...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...