Molecular dynamics simulations of hydrolases for saccharification of cellulose and...
Multiscale simulations of enzymes and enzymatic complexes to lignocellulosic bioma...
Elucidation of molecular mechanisms underpinning substrate recognition and catalyt...
Hybrid QM/MM simulations of feruloyl esterases: cleavage mechanism of lignin-carbo...
Molecular aspectos of lignocellulosic biomass degradation: dynamics of enzymes and...
Molecular Dynamics of Carbohydrate Modifying Enzymes for Lignocellulosic Biomass D...