(Q42255582)

19 October 2017

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

1 reference

19 October 2017

Thomas E. Cheatham, III

series ordinal

2

object named as

Thomas E Cheatham

1 reference

19 October 2017

In Suk Joung

1

1 reference

PMCID

2755304

19 October 2017

language of work or name

English

0 references

publication date

1 October 2009

1 reference

19 October 2017

12

1 reference

Journal of Physical Chemistry B

inferred from page(s)

published in

1 reference

19 October 2017

113

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19 October 2017

40

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19 October 2017

13279-13290

1 reference

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

19 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Molecular basis of the apparent near ideality of urea solutions

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Structural roles of monovalent cations in the HDV ribozyme

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Solubility of KF and NaCl in water by molecular simulation.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Conductimetric determination of thermodynamic pairing constants for symmetrical electrolytes

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

The Amber biomolecular simulation programs

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

The contribution of metal ions to the structural stability of the large ribosomal subunit

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

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

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Molecular dynamics simulations of biomolecules: long-range electrostatic effects

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Free energy via molecular simulation: applications to chemical and biomolecular systems

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

The molecular theory of polyelectrolyte solutions with applications to the electrostatic properties of polynucleotides

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Role of sequence in salt-bridge formation for alkali metal cationized GlyArg and ArgGly investigated with IRMPD spectroscopy and theory

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

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

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Anion binding to nucleic acids.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Anion concentration modulates the conformation and stability of the molten globule of cytochrome c.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2755304

Effective interaction potentials for alkali and alkaline earth metal ions in SPC/E water and prediction of mean ion activity coefficients

17 August 2018

1 reference

12 December 2020

1 reference

12 December 2020

On the residence time for water in a solute hydration shell: application to aqueous halide solutions

1 reference

12 December 2020

The Effects of Metal Ions on the Structure and Stability of the DNA Gyrase B Protein

1 reference

12 December 2020

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

1 reference

12 December 2020

Molecular-dynamics study of atomic motions in water

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP902584C

1 reference

19 October 2017

1 reference

19 October 2017

1 reference

PMCID

2755304