An efficient approach to study membrane nano-inclusions: from the complex biological world to a simple representation

Abstract

Membrane nano-inclusions are of great interest in biophysics, materials science, nanotechnology, and medicine. In this work, We combined MD simulations and theories to reveal their physics behavior.

Sol/gel transition of oil/water microemulsions controlled by surface grafted triblock copolymer dodecyl–PEO227–dodecyl: molecular dynamics simulations with experimentally validated interaction potential

“…The temperature (T) is set to the ambiante temperature T a , T ¼ T a ¼ 25 C. The surface effects are removed using the periodic boundary conditions and the reduced units are used to optimize the MD calculation time, the time is reduced by ffiffiffiffiffiffiffiffiffi mR 2 k B T s , the energies are reduced by k B T, the distances are reduced by the O/ W-MI radius R, and the temperature is reduced by the room temperature T a . 48,49 We analyzed the O/W-MIs structural properties using the radial distribution function g(r). The g(r) presents the probability of nding microemulsions located at each separation distance r around a central one.…”