Ionic solvation studied by image-charge reaction field method. (Q34607354)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21280685%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

title

Ionic solvation studied by image-charge reaction field method (English)

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21 January 2020

1

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21 January 2020

Andriy Baumketner

2

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21 January 2020

author name string

Wei Song

3

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21 January 2020

Shaozhong Deng

4

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21 January 2020

Donald Jacobs

5

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21 January 2020

Wei Cai

6

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21 January 2020

language of work or name

English

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publication date

1 January 2011

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Journal of Chemical Physics

21 January 2020

published in

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21 January 2020

volume

134

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21 January 2020

page(s)

044105

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21 January 2020

issue

4

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An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions

21 January 2020

cites work

1 reference

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7 July 2018

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7 July 2018

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Extending the Fast Multipole Method for Charges inside a Dielectric Sphere in an Ionic Solvent: High Order Image Approximations for Reaction Fields

7 July 2018

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Liquid-structure forces and electrostatic modulation of biomolecular interactions in solution

7 July 2018

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Biomolecular modeling: Goals, problems, perspectives

7 July 2018

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Electrostatics calculations: latest methodological advances

7 July 2018

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Nonperiodic boundary conditions for solvated systems

7 July 2018

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Improving implicit solvent simulations: a Poisson-centric view

7 July 2018

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7 July 2018

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Stability of the beta-sheet of the WW domain: A molecular dynamics simulation study

7 July 2018

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Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

7 July 2018

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Importance of explicit salt ions for protein stability in molecular dynamics simulation.

7 July 2018

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Refinement of the NMR solution structure of the gamma-carboxyglutamic acid domain of coagulation factor IX using molecular dynamics simulation with initial Ca2+ positions determined by a genetic algorithm

7 July 2018

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Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins

7 July 2018

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Cutoff size does strongly influence molecular dynamics results on solvated polypeptides.

7 July 2018

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Taming cut-off induced artifacts in molecular dynamics studies of solvated polypeptides. The reaction field method.

7 July 2018

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Die Berechnung optischer und elektrostatischer Gitterpotentiale

7 July 2018

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On the Ewald artifacts in computer simulations. The test-case of the octaalanine peptide with charged termini

21 January 2018

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Computation of methodology-independent ionic solvation free energies from molecular simulations. II. The hydration free energy of the sodium cation.

21 January 2018

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A Non-Iterative Matrix Method for Constraint Molecular Dynamics Simulations

21 January 2018

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The transition between the B and Z conformations of DNA investigated by targeted molecular dynamics simulations with explicit solvation.

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Free Energy of Ionic Hydration

26 October 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Computer simulations do not support Cl-Cl pairing in aqueous NaCl solution

21 January 2018

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21 January 2018

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21 January 2018

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Molecular dynamics studies of solvated polypeptides: Why the cut-off scheme does not work

21 January 2018

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21 January 2018

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12 December 2020

Impact of Cl- and Na+ ions on simulated structure and dynamics of betaARK1 PH domain

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12 December 2020

Optimized Monte Carlo data analysis

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12 December 2020

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

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12 December 2020

Dielectric response of a polar fluid trapped in a spherical nanocavity

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Identifiers

DOI

10.1063/1.3530094

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21 January 2020

1 reference

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21 January 2020

1 reference