33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Rane K, van der Vegt NF. Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface. The Journal of Physical Chemistry. B. 120: 9697-707. PMID 27532321 DOI: 10.1021/Acs.Jpcb.6B05237  0.371
2016 Rodríguez-Ropero F, Rötzscher P, van der Vegt NF. Comparison of Different TMAO Force Fields and Their Impact on the Folding Equilibrium of a Hydrophobic Polymer. The Journal of Physical Chemistry. B. 120: 8757-67. PMID 27482971 DOI: 10.1021/acs.jpcb.6b04100  0.326
2016 Ganguly P, van der Vegt NF, Shea JE. Hydrophobic Association in Mixed Urea-TMAO Solutions. The Journal of Physical Chemistry Letters. PMID 27440555 DOI: 10.1021/Acs.Jpclett.6B01344  0.751
2016 van der Vegt NF, Haldrup K, Roke S, Zheng J, Lund M, Bakker HJ. Water-Mediated Ion Pairing: Occurrence and Relevance. Chemical Reviews. PMID 27153482 DOI: 10.1021/Acs.Chemrev.5B00742  0.316
2016 Rane K, van der Vegt NF. Understanding the influence of capillary waves on solvation at the liquid-vapor interface. The Journal of Chemical Physics. 144: 114111. PMID 27004866 DOI: 10.1063/1.4943781  0.333
2015 Rodríguez-Ropero F, Hajari T, van der Vegt NF. Mechanism of Polymer Collapse in Miscible Good Solvents. The Journal of Physical Chemistry. B. 119: 15780-8. PMID 26619003 DOI: 10.1021/Acs.Jpcb.5B10684  0.753
2015 Ganguly P, Hajari T, Shea JE, van der Vegt NF. Correction to "Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment". The Journal of Physical Chemistry Letters. 4728-4729. PMID 26570993 DOI: 10.1021/Acs.Jpclett.5B02536  0.71
2015 Ganguly P, Hajari T, Shea JE, van der Vegt NF. Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment. The Journal of Physical Chemistry Letters. 6: 581-5. PMID 26262470 DOI: 10.1021/Jz502634K  0.737
2015 Hajari T, van der Vegt NF. Publisher's Note: "Solvation thermodynamics of amino acid side chains on a short peptide backbone" [J. Chem. Phys. 142, 144502 (2015)]. The Journal of Chemical Physics. 142: 169901. PMID 25933792 DOI: 10.1063/1.4919029  0.738
2015 Hajari T, van der Vegt NF. Solvation thermodynamics of amino acid side chains on a short peptide backbone. The Journal of Chemical Physics. 142: 144502. PMID 25877585 DOI: 10.1063/1.4917076  0.757
2014 Hajari T, van der Vegt NF. Peptide backbone effect on hydration free energies of amino acid side chains. The Journal of Physical Chemistry. B. 118: 13162-8. PMID 25338222 DOI: 10.1021/Jp5094146  0.752
2014 Rodríguez-Ropero F, van der Vegt NF. Direct osmolyte-macromolecule interactions confer entropic stability to folded states. The Journal of Physical Chemistry. B. 118: 7327-34. PMID 24927256 DOI: 10.1021/jp504065e  0.353
2014 Ganguly P, Hajari T, van der Vegt NF. Molecular simulation study on Hofmeister cations and the aqueous solubility of benzene. The Journal of Physical Chemistry. B. 118: 5331-9. PMID 24792435 DOI: 10.1021/Jp5011154  0.742
2013 Ganguly P, van der Vegt NF. Representability and Transferability of Kirkwood-Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems. Journal of Chemical Theory and Computation. 9: 5247-56. PMID 26592264 DOI: 10.1021/Ct400242R  0.718
2013 Ganguly P, van der Vegt NF. Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 9: 1347-55. PMID 26587597 DOI: 10.1021/Ct301017Q  0.68
2013 Rodríguez-Ropero F, van der Vegt NF. Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush. Faraday Discussions. 160: 297-309; discussion . PMID 23795507 DOI: 10.1039/c2fd20072d  0.319
2012 Ganguly P, Mukherji D, Junghans C, van der Vegt NF. Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation. 8: 1802-7. PMID 26593671 DOI: 10.1021/Ct3000958  0.711
2012 Hajari T, Ganguly P, van der Vegt NF. Enthalpy-Entropy of Cation Association with the Acetate Anion in Water. Journal of Chemical Theory and Computation. 8: 3804-9. PMID 26593021 DOI: 10.1021/Ct300074D  0.729
2012 Site LD, Holm C, van der Vegt NF. Multiscale approaches and perspectives to modeling aqueous electrolytes and polyelectrolytes. Topics in Current Chemistry. 307: 251-94. PMID 21630135 DOI: 10.1007/128_2011_168  0.31
2011 Shen JW, Li C, van der Vegt NF, Peter C. Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. Journal of Chemical Theory and Computation. 7: 1916-27. PMID 26596452 DOI: 10.1021/Ct2001396  0.351
2011 Algaer EA, van der Vegt NF. Hofmeister ion interactions with model amide compounds. The Journal of Physical Chemistry. B. 115: 13781-7. PMID 22014181 DOI: 10.1021/jp208583w  0.392
2011 Ganguly P, Schravendijk P, Hess B, van der Vegt NF. Ion pairing in aqueous electrolyte solutions with biologically relevant anions. The Journal of Physical Chemistry. B. 115: 3734-9. PMID 21410261 DOI: 10.1021/Jp201150Q  0.724
2009 Villa A, Peter C, van der Vegt NF. Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation. Physical Chemistry Chemical Physics : Pccp. 11: 2077-86. PMID 19280018 DOI: 10.1039/B818144F  0.365
2009 Villa A, van der Vegt NF, Peter C. Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model. Physical Chemistry Chemical Physics : Pccp. 11: 2068-76. PMID 19280017 DOI: 10.1039/B818146M  0.307
2007 Hess B, van der Vegt NF. Solvent-averaged potentials for alkali-, earth alkali-, and alkylammonium halide aqueous solutions. The Journal of Chemical Physics. 127: 234508. PMID 18154401 DOI: 10.1063/1.2812547  0.339
2007 Peter C, van der Vegt NF. Solvent reorganization contributions in solute transfer thermodynamics: inferences from the solvent equation of state. The Journal of Physical Chemistry. B. 111: 7836-42. PMID 17579394 DOI: 10.1021/Jp0712708  0.337
2006 Hess B, van der Vegt NF. Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models. The Journal of Physical Chemistry. B. 110: 17616-26. PMID 16942107 DOI: 10.1021/jp0641029  0.329
2006 van der Vegt NF, Lee ME, Trzesniak D, van Gunsteren WF. Enthalpy-entropy compensation in the effects of urea on hydrophobic interactions. The Journal of Physical Chemistry. B. 110: 12852-5. PMID 16805581 DOI: 10.1021/jp062426r  0.391
2006 Ozal TA, van der Vegt NF. Confusing cause and effect: energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures. The Journal of Physical Chemistry. B. 110: 12104-12. PMID 16800523 DOI: 10.1021/jp061608i  0.373
2006 Hess B, Holm C, van der Vegt N. Modeling multibody effects in ionic solutions with a concentration dependent dielectric permittivity. Physical Review Letters. 96: 147801. PMID 16712122 DOI: 10.1103/Physrevlett.96.147801  0.308
2006 Hess B, Holm C, van der Vegt N. Osmotic coefficients of atomistic NaCl (aq) force fields. The Journal of Chemical Physics. 124: 164509. PMID 16674148 DOI: 10.1063/1.2185105  0.329
2005 Schravendijk P, van der Vegt NF. From Hydrophobic to Hydrophilic Solvation:  An Application to Hydration of Benzene. Journal of Chemical Theory and Computation. 1: 643-52. PMID 26641686 DOI: 10.1021/ct049841c  0.325
2005 Lee ME, van der Vegt NF. A new force field for atomistic simulations of aqueous tertiary butanol solutions. The Journal of Chemical Physics. 122: 114509. PMID 15836231 DOI: 10.1063/1.1862625  0.318
Show low-probability matches.