Hybrid QM/MM simulations of feruloyl esterases: cleavage mechanism of lignin-carbo...
Molecular aspectos of lignocellulosic biomass degradation: dynamics of enzymes and...
Molecular dynamics simulations of hydrolases for saccharification of cellulose and...
Transition path sampling QM/MM simulations of lytic transglycosylases
Multiscale molecular dynamics of glycoside hydrolases and lignocellulosic substrates
Molecular dynamics simulations of enzymes of biotechnological interest