Faster but not sweeter: A model of E. coli Re-level lipopolysaccharide for Martini 3 and a Martini 2 version with accelerated kinetics
Astrid F. Brandner, Dheeraj Prakaash, Alexandre Blanco-González, Fergus Waterhouse, Syma Khalid
The paper introduces a faster-diffusing LPS model for Martini 2 and completes the Martini 3 LPS toolkit, enabling better simulation of membrane interactions and dynamics.
Journal of Chemical Theory and Computation · Jul 15, 2024Peer-reviewedBioinformatics