Molecular mechanisms of a new oxidative enzyme for cellulose depolymerization
Use of classical and quantum molecular dynamics simulations to study new glycoside...
Density functional theory applyed to vibrational dynamics of crystals of ionic sys...
Calculations in Computational Chemistry: Quantum and Stochastic
Multiscale simulations of enzymes and enzymatic complexes to lignocellulosic bioma...
Transition path sampling QM/MM simulations of lytic transglycosylases