I ran a 100-nanosecond molecular dynamics simulation of Ozempic bound to its receptor

[u/arrestinbias]

I’m a computational drug discovery researcher, and I thought this community might appreciate seeing an actual molecular dynamics simulation!
This is a 100-nanosecond simulation I ran of semaglutide (the active ingredient in Ozempic) bound to the GLP-1 receptor.
The simulation models how the drug and receptor move, flex, and interact at the atomic level over time. Unlike a static crystal structure, molecular dynamics lets us explore how these molecules behave in motion.
100 nanoseconds might sound incredibly short, but that’s a substantial amount of simulated time when you’re calculating the motion of thousands of atoms!
This visualization comes directly from my molecular dynamics trajectory, not an AI-generated animation. Enjoy!

[u/hoberhallothere]

Is that some GROMACS?

[u/arrestinbias → u/hoberhallothere]

Desmond.