van der Vegt NF - Search Results

1

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.

Villa A, Peter C, van der Vegt NF. Villa A, et al. Among authors: van der vegt nf. Phys Chem Chem Phys. 2009 Mar 28;11(12):2077-86. doi: 10.1039/b818144f. Epub 2009 Feb 2. Phys Chem Chem Phys. 2009. PMID: 19280018

2

A new force field for atomistic simulations of aqueous tertiary butanol solutions.

Lee ME, van der Vegt NF. Lee ME, et al. Among authors: van der vegt nf. J Chem Phys. 2005 Mar 15;122(11):114509. doi: 10.1063/1.1862625. J Chem Phys. 2005. PMID: 15836231

3

Dual-scale modeling of benzene adsorption onto Ni(111) and Au(111) surfaces in explicit water.

Schravendijk P, van der Vegt N, Delle Site L, Kremer K. Schravendijk P, et al. Chemphyschem. 2005 Sep 5;6(9):1866-71. doi: 10.1002/cphc.200400591. Chemphyschem. 2005. PMID: 16086342

4

Modeling of molecular packing and conformation in oligofluorenes.

Marcon V, van der Vegt N, Wegner G, Raos G. Marcon V, et al. J Phys Chem B. 2006 Mar 23;110(11):5253-61. doi: 10.1021/jp056858y. J Phys Chem B. 2006. PMID: 16539455

5

Osmotic coefficients of atomistic NaCl (aq) force fields.

Hess B, Holm C, van der Vegt N. Hess B, et al. J Chem Phys. 2006 Apr 28;124(16):164509. doi: 10.1063/1.2185105. J Chem Phys. 2006. PMID: 16674148

6

Confusing cause and effect: energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures.

Ozal TA, van der Vegt NF. Ozal TA, et al. Among authors: van der vegt nf. J Phys Chem B. 2006 Jun 22;110(24):12104-12. doi: 10.1021/jp061608i. J Phys Chem B. 2006. PMID: 16800523

7

Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models.

Hess B, van der Vegt NF. Hess B, et al. Among authors: van der vegt nf. J Phys Chem B. 2006 Sep 7;110(35):17616-26. doi: 10.1021/jp0641029. J Phys Chem B. 2006. PMID: 16942107

8

Solvent reorganization contributions in solute transfer thermodynamics: inferences from the solvent equation of state.

Peter C, van der Vegt NF. Peter C, et al. Among authors: van der vegt nf. J Phys Chem B. 2007 Jul 12;111(27):7836-42. doi: 10.1021/jp0712708. Epub 2007 Jun 19. J Phys Chem B. 2007. PMID: 17579394

9

Solvent-averaged potentials for alkali-, earth alkali-, and alkylammonium halide aqueous solutions.

Hess B, van der Vegt NF. Hess B, et al. Among authors: van der vegt nf. J Chem Phys. 2007 Dec 21;127(23):234508. doi: 10.1063/1.2812547. J Chem Phys. 2007. PMID: 18154401

10

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.

Villa A, van der Vegt NF, Peter C. Villa A, et al. Among authors: van der vegt nf. Phys Chem Chem Phys. 2009 Mar 28;11(12):2068-76. doi: 10.1039/b818146m. Epub 2009 Feb 2. Phys Chem Chem Phys. 2009. PMID: 19280017

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