(Q35121066)

6 August 2017

title

A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides (English)

1 reference

6 August 2017

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Moon Bae Gee

1

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6 August 2017

Nicholas R Cox

2

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6 August 2017

Yuanfang Jiao

3

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6 August 2017

Nikolaos Bentenitis

4

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6 August 2017

Samantha Weeerasinghe

5

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6 August 2017

Paul E Smith

6

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6 August 2017

publication date

1 April 2011

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Journal of Chemical Theory and Computation

6 August 2017

published in

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6 August 2017

volume

7

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6 August 2017

issue

5

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6 August 2017

page(s)

1369-1380

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The effect of urea on the morphology of NaCl crystals: A combined theoretical and simulation study

6 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Developing Force Fields from the Microscopic Structure of Solutions

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

A Kirkwood-Buff derived force field for thiols, sulfides, and disulfides.

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Cation specific binding with protein surface charges

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

On the Kirkwood-Buff inversion procedure

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

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

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Recent applications of Kirkwood-Buff theory to biological systems

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Molecular basis of the apparent near ideality of urea solutions

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

GROMACS: fast, flexible, and free

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

How Hofmeister ion interactions affect protein stability

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Salt-nucleic acid interactions

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

The electrostatic properties of membranes

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Kirkwood-Buff derived force field for alkali chlorides in simple point charge water

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

Structural and dynamic properties of concentrated alkali halide solutions: a molecular dynamics simulation study.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

The Kirkwood-Buff theory and the effect of cosolvents on biochemical reactions.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

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

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3141341

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

27 September 2018

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

X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

1 reference

12 December 2020

A Kirkwood-Buff derived force field for amides

1 reference

12 December 2020

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

1 reference

12 December 2020

Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field

1 reference

12 December 2020

Rational design of ion force fields based on thermodynamic solvation properties

1 reference

12 December 2020

A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions

1 reference

12 December 2020

Identifiers

DOI

10.1021/CT100517Z

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6 August 2017

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6 August 2017

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