Surface tension of lipid-water interfaces: Monte Carlo simulations

Journal Article · Sat Nov 15 00:00:00 EST 1980 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.439965· OSTI ID:6753393

Scott, H L; Lee, C Y

The results of several computer simulations are presented using a model for the head group water interface of a lipid bilayer. Simulations were performed using the Monte Carlo method, enhanced by a ''half-umbrella sampling'' algorithm developed in an earlier paper. The results can be used in a comparative way, along with the earlier results for pure water, to estimate the effective dipole moment of a typical phospholipid in a bilayer in excess water. 15 references.

• OSTI ID: 6753393
• Journal Information: J. Chem. Phys.; (United States), Vol. 73:10
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
LIPIDS
SURFACE TENSION
ALGORITHMS
CALCULATION METHODS
COMPUTERIZED SIMULATION
DIPOLE MOMENTS
INTERFACES
LAYERS
MONTE CARLO METHOD
WATER
HYDROGEN COMPOUNDS
MATHEMATICAL LOGIC
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
SIMULATION
SURFACE PROPERTIES
400301* - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)