Between Two Walls Modeling the Adsorption Behavior of β-Glucosidase A on Bare and SAM-Functionalized Gold Surfaces

par Bourassin, Nicolas
Publié dans: Langmuir : the ACS journal of surfaces and colloids (2022)

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors

par Barbault, Florent
Publié dans: Journal of computational chemistry (2012)