AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation (Q39438158)

12 September 2017

AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation (English)

1 reference

12 September 2017

Patrice Koehl

1

1 reference

12 September 2017

Marc Delarue

series ordinal

2

1 reference

12 September 2017

language of work or name

English

0 references

publication date

1 February 2010

1 reference

Journal of Chemical Physics

12 September 2017

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12 September 2017

132

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12 September 2017

6

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12 September 2017

064101

1 reference

Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Continuum molecular electrostatics, salt effects, and counterion binding--a review of the Poisson-Boltzmann theory and its modifications

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Electrostatics calculations: latest methodological advances

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Computation of electrostatic forces between solvated molecules determined by the Poisson-Boltzmann equation using a boundary element method

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Improving implicit solvent simulations: a Poisson-centric view

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Electrostatics of nanosystems: application to microtubules and the ribosome

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

12 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Molecular dynamics simulations of biomolecules: long-range electrostatic effects

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Crystal structure analysis of a complete turn of B-DNA

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Structure of a B-DNA dodecamer: conformation and dynamics

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Calculations of electrostatic interactions in biological systems and in solutions

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Structure of the C-terminal domain of the ribosomal protein L7/L12 from Escherichia coli at 1.7 A

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Areas, volumes, packing and protein structure

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Computing ion solvation free energies using the dipolar Poisson model

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Spatial distribution of competing ions around DNA in solution.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

On the calculation of electrostatic interactions in proteins.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Dipolar Poisson-Boltzmann equation: ions and dipoles close to charge interfaces.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Treatment of geometric singularities in implicit solvent models.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Highly accurate biomolecular electrostatics in continuum dielectric environments.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Analytical electrostatics for biomolecules: beyond the generalized Born approximation

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Efficient solution technique for solving the Poisson-Boltzmann equation

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Hybrid boundary element and finite difference method for solving the nonlinear Poisson-Boltzmann equation

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Statistical mechanics of charged polymers in electrolyte solutions: a lattice field theory approach

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Treatment of electrostatic effects in proteins: multigrid-based Newton iterative method for solution of the full nonlinear Poisson-Boltzmann equation.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2833186

Sur la constitution de la charge électrique à la surface d'un électrolyte

21 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.3298862

LI. A contribution to the theory of electrocapillarity

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.3298862

A survey of truncated-Newton methods

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.3298862

Structure of a B-DNA dodecamer. III. Geometry of hydration

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20151727

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20151727

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3298862

1 reference

12 September 2017

1 reference

12 September 2017

PubMed publication ID

20151727

1 reference