Ion pairing in molecular simulations of aqueous alkali halide solutions (Q41391887)

30 September 2017

Ion pairing in molecular simulations of aqueous alkali halide solutions (English)

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30 September 2017

4

Ken A Dill

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30 September 2017

Christopher J Fennell

series ordinal

1

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30 September 2017

Alan Bizjak

series ordinal

2

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30 September 2017

Vojko Vlachy

series ordinal

3

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30 September 2017

language of work or name

English

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publication date

1 May 2009

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30 September 2017

10

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Journal of Physical Chemistry B

inferred from page(s)

published in

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30 September 2017

113

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30 September 2017

19

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30 September 2017

6782-6791

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Characterization of selective binding of alkali cations with carboxylate by x-ray absorption spectroscopy of liquid microjets

30 September 2017

1 reference

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Ions in water: characterizing the forces that control chemical processes and biological structure

1 October 2017

1 reference

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Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces

1 October 2017

1 reference

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Specific ion effects at the air/water interface

1 October 2017

1 reference

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Conductimetric determination of thermodynamic pairing constants for symmetrical electrolytes

1 October 2017

1 reference

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Ion hydration: Implications for cellular function, polyelectrolytes, and protein crystallization

1 October 2017

1 reference

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Modeling water, the hydrophobic effect, and ion solvation

1 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

1 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

1 October 2017

1 reference

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Charge density-dependent strength of hydration and biological structure

1 October 2017

1 reference

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Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations

1 October 2017

1 reference

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Charge asymmetries in hydration of polar solutes.

11 June 2018

1 reference

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Ion association and hydration in aqueous solutions of LiCl and Li2SO4 by dielectric spectroscopy

11 June 2018

1 reference

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How ions affect the structure of water

11 June 2018

1 reference

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Cation-specific interactions with carboxylate in amino acid and acetate aqueous solutions: X-ray absorption and ab initio calculations

11 June 2018

1 reference

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Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments

19 August 2018

1 reference

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Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.

19 August 2018

1 reference

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Effective potentials for 1:1 electrolyte solutions incorporating dielectric saturation and repulsive hydration.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

On the salt-induced stabilization of pair and many-body hydrophobic interactions.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

Surfaces affect ion pairing

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: diffusion, free energy of hydration, and structural properties.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2698044

Ion solvation thermodynamics from simulation with a polarizable force field

19 August 2018

1 reference

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Ions from the Hofmeister series and osmolytes: effects on proteins in solution and in the crystallization process

19 August 2018

1 reference

12 December 2020

Osmotic coefficients of atomistic NaCl (aq) force fields

1 reference

12 December 2020

Modeling multibody effects in ionic solutions with a concentration dependent dielectric permittivity

1 reference

12 December 2020

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO3, NaClO4, and NaSCN

1 reference

12 December 2020

1 reference

12 December 2020

Effect of ions on the hydrophobic interaction between two plates

1 reference

12 December 2020

Quantitative characterization of ion pairing and cluster formation in strong 1:1 electrolytes

1 reference

12 December 2020

Parameters of monovalent ions in the AMBER-99 forcefield: assessment of inaccuracies and proposed improvements

1 reference

12 December 2020

Molecular dynamics simulations of hydrophobic associations in aqueous salt solutions indicate a connection between water hydrogen bonding and the Hofmeister effect

1 reference

12 December 2020

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

1 reference

12 December 2020

The Origin of Layer Structure Artifacts in Simulations of Liquid Water

1 reference

12 December 2020

Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions

1 reference

12 December 2020

Spontaneous Formation of KCl Aggregates in Biomolecular Simulations: A Force Field Issue?

1 reference

12 December 2020

Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied?

1 reference

12 December 2020

Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach

1 reference

12 December 2020

Über die Dissociation der in Wasser gelösten Stoffe

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1515/ZPCH-1887-0164

5 October 2021

Identifiers

DOI

10.1021/JP809782Z

1 reference

30 September 2017

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30 September 2017

PubMed publication ID

19206510

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