Snapshots of (A) a constrained DMPC lipid and (B) a DPPC lipid at different locations relative to the center of the membrane.

Each color represents the configuration of the lipid at a different time, taken from the last 5 × 105 time steps and separated by 5 × 104 time steps. The overlaying of the configurations illustrates the flexibility and orientation of the constrained lipid molecule. Head groups and tails of the lipid are represented by thick and thin bonds, respectively.</p

Snapshots of (A) DMPC, (B) DOPC, (C) gel-phase DPPC, and (D) fluid-phase bilayers at zero tension states.

<p>Snapshots of (A) DMPC, (B) DOPC, (C) gel-phase DPPC, and (D) fluid-phase bilayers at zero tension states.</p

Snapshots of the evolution of DMPC vesicle formation.

<p>The last snapshot is the cross-sectional view of a cut vesicle, with explicit inner (yellow) and outer (green) water.</p

Structural properties of phospholipids bilayers: membrane thickness <i>L</i>_<i>mem</i>, area per lipid <i>a</i>₀, and orientation order of the hydrocarbon chain <i>S</i>_<i>chain</i> as well as elastic properties: bending rigidity <i>κ</i> and rupture tension Σ_<i>r</i>.

<p>Structural properties of phospholipids bilayers: membrane thickness <i>L</i>_<i>mem</i>, area per lipid <i>a</i>₀, and orientation order of the hydrocarbon chain <i>S</i>_<i>chain</i> as well as elastic properties: bending rigidity <i>κ</i> and rupture tension Σ_<i>r</i>.</p

Snapshots of (A) DMPC and (B) DPPC (simulated at temperature <i>T</i> = 1) bilayers under stretching.

<p>Snapshots of (A) DMPC and (B) DPPC (simulated at temperature <i>T</i> = 1) bilayers under stretching.</p

Density profiles of (A) DMPC, (B) DOPC, (C) gel-phase DPPC, and (D) fluid-phase DPPC bilayers at zero tension states.

<p>Density profiles of (A) DMPC, (B) DOPC, (C) gel-phase DPPC, and (D) fluid-phase DPPC bilayers at zero tension states.</p

Membrane tension Σ as a function of the projected area per lipid <i>a</i>_<i>prj</i> for DMPC, DOPC, and gel-phase DPPC bilayers.

<p>Membrane tension Σ as a function of the projected area per lipid <i>a</i>_<i>prj</i> for DMPC, DOPC, and gel-phase DPPC bilayers.</p

Potential of mean forces for DMPC, DOPC, and DPPC lipid flip-flop in a DMPC, DOPC, and DPPC bilayer, respectively.

<p>Potential of mean forces for DMPC, DOPC, and DPPC lipid flip-flop in a DMPC, DOPC, and DPPC bilayer, respectively.</p

Relationship between Flory-Huggins parameters and repulsion parameters.

<p>(A): Normalized density profiles for bicomponent system at repulsion parameters <i>a</i>_<i>AA</i> = <i>A</i>_<i>BB</i> = 100 and <i>a</i>_<i>AB</i> = 110 (dashed lines) and <i>a</i>_<i>AB</i> = 113 (solid lines). (B): Relationship between excess repulsion and effective <i>χ</i>-parameter obtained at various <i>a</i>_<i>ii</i>. The straight lines are the linear fittings to the data. (C): The constants of proportionality <i>λ</i> extracted from linear fitting in (B) at various <i>a</i>_<i>ii</i>.</p

Equilibrium bond lengths, angles, and force parameters for DMPC lipid.

<p>Equilibrium bond lengths, angles, and force parameters for DMPC lipid.</p