Bilayer formation through molecular self-assembly

This video shows the spontaneous self-assembly of dendrimeric surfactant molecules in water studied with coarse grain molecular dynamics. The specific molecule shown in this example was designed to self-assemble fast and produce very stable bilayers. The simulation covers about 20 nanoseconds simulation time.

[@edvolve]

Very good for teaching. I'm reminded of a film of oil on the top of a pan in the sink. slowly but surely the oil bubbles spontaneously find each other. Organization from chaos. Just one more example in nature.

[@adrianpabloalvarez2523]

I was working with bilayers with GROMACS 2.0 15 years ago with a silicon graphics onys. Enough for some picoseconds :D. Amazing to see how things advanced!

[@christopherleggett]

Wow. What type of software was used here? This is fantastic.

[@jeremyhuang8125]

Interesting simulation! May I ask what kind of force field you applied in this simulation?

[@SUNILKUMAR14]

ohhh great sir.....................its loooking good and informative.......

[@lasershark1237]

now I want to do this on my graphics card... ill just have to wait a week or two :D

[@Tone202]

very cool

[@benoitroux9639]

It is a nice simulation, but the lipid chains are much too ordered at the end when the bilayer is formed. This is a bit odd. I don't think that the CG force field is tuned correctly.

[@templelammps]

+Benoit Roux These are not "normal" lipids, but molecules specifically designed to behave they way they do, i.e. self-assemble rapidly into stiff bilayer structures.

[@behram11]

so amazing!!!

[@hertersarel]

Wow❤️

[@dios321]

Is this a DPD?

[@templelammps]

No. Custom coarse grain model. Pair style lj/sdk in LAMMPS.

[@MolecularArts]

Is this a coarse-grained simulation?

[@templelammps]

coarse-grained. with the Shinoda-DeVane-Klein model

[@maximus2978]

@Axel Kohlmeyer which visualization tool you used?

[@templelammps]

This was done with VMD.

[@egidijuskuprusevicius4225]

you see what you want to see...you program this way :) but how it is tied with reality?

[@planetarium6080]

Hydrophobic part wants not to be in contact with water, so they tried "to hide" themself with other hydrophobuc parts. Parts who like water, are surrounded by water. More and more lipids are coming, so micelles are full. So they need to find a more stable statement. And you have you bilayer. It is just my interpretation with my little studies. Sorry my english, not quite good

[@ZuziCardet]

:)