Ollila, O H Samuli3; Risselada, H Jelger3; Louhivuori, Martti3; Lindahl, Erik3; Vattulainen, Ilpo4; Marrink, Siewert J3
1 Faculty of Science, SDU2 Department of Physics, Chemistry and Pharmacy, Faculty of Science, SDU3 unknown4 Department of Physics, Chemistry and Pharmacy, Faculty of Science, SDU
We calculate full 3D pressure fields for inhomogeneous nanoscale systems using molecular dynamics simulation data. The fields represent systems with increasing level of complexity, ranging from semivesicles and vesicles to membranes characterized by coexistence of two phases, including also a protein-membrane complex. We show that the 3D pressure field is distinctly different for curved and planar bilayers, the pressure field depends strongly on the phase of the membrane, and that an integral protein modulates the tension and elastic properties of the membrane.
Physical Review Letters, 2009, Vol 102, Issue 7
1,2-Dipalmitoylphosphatidylcholine; Escherichia coli Proteins; Ion Channels; Lipid Bilayers; Membrane Lipids; Membrane Proteins; Models, Biological; Models, Chemical