During lockdown, two things were on everyone’s mind: When is the vaccine going to come out, and while I’m waiting, what can I do to occupy my time? Some got into baking, others knitting. Researchers from the Vermaas lab at the MSU-DOE Plant Research Laboratory combined these two questions and tried their hand at the puzzle that is vaccine molecular simulation. This had its challenges and led the researchers to create a more efficient tool to solve the problem of ring piercings in molecular simulations.
Click here for original story, Making molecular simulations more efficient with LongBondEliminator
Source: Phys.org