Computational simulation and modeling of carbohydrate modifying enzymes, support p...
Multiscale simulations of enzymes and enzymatic complexes to lignocellulosic bioma...
Molecular dynamics simulations of hydrolases for saccharification of cellulose and...
Hybrid QM/MM simulations of feruloyl esterases: cleavage mechanism of lignin-carbo...
Molecular aspectos of lignocellulosic biomass degradation: dynamics of enzymes and...
Transition path sampling QM/MM simulations of lytic transglycosylases
Catalytic dynamics study of the endo-1,4-beta-xylanase from Bacillus subtilis by f...