A DFT study of solvation effects on the tautomeric equilibrium and catalytic ylide generation of thiamin models. - Mette Alstrup Lie; Birgit Schiøtt (J. Comput. Chem., 2008)

Molecular Docking with Ligand Attached Water Molecules. - Mette Alstrup Lie; René Thomsen; Christian N. S. Pedersen; Birgit Schiøtt; Mikael H. Christensen (J. Chem. Inf. Model., 2011)