Halvor S. Hansen

A reoptimized GROMOS force field for hexopyranose‐based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers

Halvor S. Hansen, Philippe H. Hünenberger · Journal of Computational Chemistry · 2010 · 173 citations

Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex

Hiroko Satoh, Halvor S. Hansen, Shino Manabe et al. · Journal of Chemical Theory and Computation · 2010 · 170 citations

Asymmetric Catalysis, Explicit-solvent Md Simulations, Engineering +15

Conformational properties of glucose-based disaccharides investigated using molecular dynamics simulations with local elevation umbrella sampling

Lovorka Perić-Hassler, Halvor S. Hansen, Riccardo Baron et al. · Carbohydrate Research · 2010 · 137 citations

Biochemistry, Protein Folding, Glycobiology +10

Using the local elevation method to construct optimized umbrella sampling potentials: Calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water

Halvor S. Hansen, Philippe H. Hünenberger · Journal of Computational Chemistry · 2009 · 114 citations

Computational Biophysics, Engineering, Umbrella Sampling +15

Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software

Sereina Riniker, Clara D. Christ, Halvor S. Hansen et al. · The Journal of Physical Chemistry B · 2011 · 82 citations

Engineering, Biochemistry, Protein Folding +15