Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field (Q36963005)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

title

Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

0 references

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

Alex MacKerell

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

author name string

Yun Luo

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

Wei Jiang

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

Benoit Roux

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

publication date

1 January 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

volume

160

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

page(s)

135-49; discussion 207-24

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions.

3 March 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMD

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Cation specific binding with protein surface charges

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

CHARMM: the biomolecular simulation program

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Understanding the dielectric properties of liquid amides from a polarizable force field.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Effect of high salt concentrations on water structure

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Recent applications of Kirkwood-Buff theory to biological systems

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Molecular basis of the apparent near ideality of urea solutions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Scalable molecular dynamics with NAMD

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Uncovering the basis for nonideal behavior of biological molecules

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

Canonical dynamics: Equilibrium phase-space distributions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

An analysis of the molecular origin of osmolyte-dependent protein stability

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

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

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3695446

A polarizable model of water for molecular dynamics simulations of biomolecules

4 September 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2FD20068F

Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2FD20068F

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2FD20068F

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2FD20068F

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2FD20068F

Ion pairing in aqueous electrolyte solutions with biologically relevant anions

21 January 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Osmotic coefficients of atomistic NaCl (aq) force fields

1 reference

12 December 2020

A comparison of methods to compute the potential of mean force

1 reference

12 December 2020

A Kirkwood-Buff derived force field for amides

1 reference

12 December 2020

Dissociation of NaCl in water from ab initio molecular dynamics simulations

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Identifiers

DOI

10.1039/C2FD20068F

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23795497%20AND%20SRC:MED&resulttype=core&format=json

3 March 2020

1 reference