| 1 |
Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field
Senac C, Urbach W, Kurtisovski E, Hunenberger PH, Horta BAC, Taulier N, Fuchs PFJ
Langmuir, 33(39), 10225, 2017 |
| 2 |
Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity-Basity Scale Revisited
Reif MM, Hunenberger PH
Journal of Physical Chemistry B, 120(33), 8485, 2016 |
| 3 |
Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software
Riniker S, Christ CD, Hansen HS, Hunenberger PH, Oostenbrink C, Steiner D, van Gunsteren WF
Journal of Physical Chemistry B, 115(46), 13570, 2011 |
| 4 |
Enantiomeric Segregation in the Gel Phase of Lipid Bilayers
Horta BAC, Hunenberger PH
Journal of the American Chemical Society, 133(22), 8464, 2011 |
| 5 |
Molecular Dynamics Simulations of a Reversibly Folding beta-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions
Reif MM, Krautler V, Kastenholz MA, Daura X, Hunenberger PH
Journal of Physical Chemistry B, 113(10), 3112, 2009 |
| 6 |
Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates
Baron R, de Vries AH, Hunenberger PH, van Gunsteren WF
Journal of Physical Chemistry B, 110(16), 8464, 2006 |
| 7 |
Interaction of the sugars trehalose, maltose and glucose with a phospholipid bilayer: A comparative molecular dynamics study
Pereira CS, Hunenberger PH
Journal of Physical Chemistry B, 110(31), 15572, 2006 |
| 8 |
Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations
Baron R, de Vries AH, Hunenberger PH, van Gunsteren WF
Journal of Physical Chemistry B, 110(31), 15602, 2006 |
| 9 |
Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation time
de Vries AH, Chandrasekhar I, van Gunsteren WF, Hunenberger PH
Journal of Physical Chemistry B, 109(23), 11643, 2005 |
| 10 |
Use of molecular dynamics in the design and structure determination of a photoinducible beta-hairpin
Krautler V, Aemissegger A, Hunenberger PH, Hilvert D, Hansson T, van Gunsteren WF
Journal of the American Chemical Society, 127(13), 4935, 2005 |
