BiochemistrybioRxiv
Exploration, representation and rationalization of the conformational phase-space of N-glycans
I. L. Grothaus, G. Bussi, L. Colombi Ciacchi
The paper explores the conformational phase-space of N-glycans using enhanced sampling and dimensionality reduction to identify key torsion angles and their biological relevance.
DOI 10.1021/acs.jcim.2c01049