Congratulations to Simons Graduate Fellowship recipient, Subarna Sasmal.  Subarna is the lead author on a paper that demonstrates that Linear Discriminant Analysis (LDA) applied to atomic positions in two different states of a biomolecule produces a good reaction coordinate between those two states.

Reference:

Sasmal, S., McCullagh, M., and Hocky, G.M., Reaction Coordinates for Conformational Transitions using Linear Discriminant Analysis on Positions.  arXiv preprint arXiv:2301.03479 (2023)