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

von Bourassin, Nicolas
Veröffentlicht in: 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

von Barbault, Florent
Veröffentlicht in: Journal of computational chemistry (2012)