PLGA Polymers with Coarse-Grained MD

/images/plga_jpcb_cover.jpg — JPCB Journal cover created from image to the right

/images/p1.jpg — Whole view of a semi-crystalline PLGA sample superimposed with the back-mapped atomistic configuration.

/images/plga_comparison.jpg — Comparison between the initial guess of two samples of PLGA with semi-crystalline (left) and amorphous (right) morphologies. The motif used to model individual polymer chains is shown on the bottom-right.

This work by FM Bellussi, M Ricci, M Fasano, and OM Roscioni at MaterialX and Politecnico di Torino uses a physically accurate coarse-grained model of poly(lactic-co-glycolic acid) (PLGA) polymers to predict properties such as glass transition temperature, thermal conductivity, and elastic moduli.

Related publications

Mesoscopic Modeling of Bio-Compatible PLGA Polymers with Coarse-Grained Molecular Dynamics Simulations J. Phys. Chem. B, 129, 2598–2606 (2025). doi:10.1021/acs.jpcb.4c07518