Modelling the behavior of 5-aminolevulinic acid and its alkyl esters in a lipid bilayer

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

Natural Sciences, Chemistry, Physics +11

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Shuichi Miyamoto, Peter A. Kollman · Journal of Computational Chemistry · 1992 · 7.6K citations

Natural Sciences, Physics, Computational Chemistry +13

Nature of the thermal pretransition of synthetic phospholipids: dimyristoyl- and dipalmitoyllecithin

Martin J. Janiak, Donald Small, G. Graham Shipley · Biochemistry · 1976 · 943 citations

Natural Sciences, Biophysics, Physics +17

Simulation of water transport through a lipid membrane

‪Siewert J. Marrink, Herman J. C. Berendsen · The Journal of Physical Chemistry · 1994 · 834 citations · Full text

Engineering, Biophysics, Biological Transport Phenomena +16

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