2009

Hess, B. ; Vegt, N. F. A. van der (2009)
Cation specific binding with protein surface charges.
In: Proc. Natl. Acad. Sci. USA, (106)
doi: 10.1073/pnas.0902904106
Artikel, Bibliographie

2008

Ghiringhelli, L. M. ; Hess, B. ; Vegt, N. F. A. van der ; Delle Site, L. (2008)
Competing Adsorption between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties.
In: Journal of the American Chemical Society, 130 (40)
doi: 10.1021/ja804350v
Artikel, Bibliographie

Hess, B. ; Peter, C. ; Ozal, T. ; Vegt, N. F. A. van der (2008)
Fast Growth Thermodynamic Integration: Calculating Excess Chemical Potentials of Additive Molecules in Polymer Microstructures.
In: Macromolecules, (41)
doi: 10.1021/ma702070n
Artikel, Bibliographie

Ozal, T. A. ; Peter, C. ; Hess, B. ; Vegt, N. F. A. van der (2008)
Modeling Solubilities of Additives in Polymer Microstructures: Single-Step Perturbation Method Based on a Soft-Cavity Reference State.
In: Macromolecules, 41 (13)
doi: 10.1021/ma702329q
Artikel, Bibliographie

Hess, B. ; Vegt, N. F. A. van der (2008)
Predictive Modeling of Phenol Chemical Potentials in Molten Bisphenol A−Polycarbonate over a Broad Temperature Range.
In: Macromolecules, 41 (20)
doi: 10.1021/ma8015486
Artikel, Bibliographie

Ozal, T. A. ; Peter, C. ; Hess, B. ; Vegt, N. F. A. van der (2008)
Solubilities of Additives in Polymer Microstructures: Single Step Perturbation Method based on a Soft Cavity Reference State.
In: Macromolecules, (41)
doi: 10.1021/ma702329q
Artikel, Bibliographie

2007

Hess, B. ; Vegt, N. F. A. van der (2007)
Solvent-Averaged Potentials for Alkali-, Earth Alkali- and Alkylammonium Halide Aqueous Solutions.
In: J. Chem. Phys., (127)
doi: 10.1063/1.2812547
Artikel, Bibliographie

2006

Hess, B. ; Vegt, N. F. A. van der (2006)
Hydration Thermodynamic Properties of Amino Acid Analogs: A Systematic Comparison of Biomolecular Force Fields and Water Models.
In: J. Phys. Chem., (B 110)
doi: 10.1021/jp0641029
Artikel, Bibliographie

Hess, B. ; Leon, S. ; Vegt, N. F. A. van der ; Kremer, K. (2006)
Long time atomistic trajectories from coarse grained simulations: Bisphenol-A Polycarbonate.
In: Soft Matter, (2)
doi: 10.1039/b602076c
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Modeling Multi-body Effects in Ionic Solutions With a Concentration Dependent Dielectric Permittivity.
In: Phys. Rev. Lett., (96)
doi: 10.1103/PhysRevLett.96.147801
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Modeling Multibody Effects in Ionic Solutions with a Concentration Dependent Dielectric Permittivity.
In: Physical Review Letters, 96 (14)
doi: 10.1103/PhysRevLett.96.147801
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Osmotic coefficients of atomistic NaCl (aq) force fields.
In: The Journal of Chemical Physics, 124 (16)
doi: 10.1063/1.2185105
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Osmotic coefficients of atomistic NaCl(aq) force fields.
In: J. Chem. Phys., (124)
doi: 10.1063/1.2185105
Artikel, Bibliographie