Combined Monte Carlo and Molecular Dynamics Simulation of Fully Hydrated Dioleyl and Palmitoyl-oleyl Phosphatidylcholine Lipid Bilayers

Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature

Oliver Berger, Olle Edholm, Fritz Jähnig · Biophysical Journal · 1997 · 1.9K citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Configurational bias Monte Carlo: a new sampling scheme for flexible chains

Jörn Ilja Siepmann, Daan Frenkel · Molecular Physics · 1992 · 1.1K citations · Full text

Natural Sciences, Physics, Computational Chemistry +16

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure

Michael C. Wiener, Stephen H. White · Biophysical Journal · 1992 · 700 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Molecular dynamics of liquid n-butane near its boiling point

Jean-Paul Ryckaert, A. Bellemans · Chemical Physics Letters · 1975 · 636 citations

Natural Sciences, Chemistry, Physics +14

Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters

D. Peter Tieleman, Herman J. C. Berendsen · The Journal of Chemical Physics · 1996 · 505 citations · Full text

Natural Sciences, Biophysics, Chemistry +17