Molecular mechanisms of a new oxidative enzyme for cellulose depolymerization
Density functional theory applyed to vibrational dynamics of crystals of ionic sys...
Use of classical and quantum molecular dynamics simulations to study new glycoside...
Calculations in Computational Chemistry: Quantum and Stochastic
Multiscale simulations of enzymes and enzymatic complexes to lignocellulosic bioma...
Ab initio molecular dynamics simulation of plastic crystal of protic ionic liquids