2 papers
q-bio.MN2026
Motional Degrees of Freedom in Network Hamiltonian Models
Peng Huang, Elizabeth M. Diessner, Carter T. Butts
Network Hamiltonian Models (NHMs) provide an efficient framework for modeling the aggregation of interacting particles (e.g., the condensation of proteins into gel-like, oligomeric…
q-bio.BM2021
Neural Upscaling from Residue-level Protein Structure Networks to Atomistic Structure
Vy Duong, Elizabeth Diessner, Gianmarc Grazioli +2
Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or…