An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.
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Ionic solvation studied by image-charge reaction field method.ICSM: An order N method for calculating electrostatic interactions added to TINKER.Image Charge Method for Reaction Fields in a Hybrid Ion-Channel ModelEffect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Classical electrostatics for biomolecular simulations.Non-Ewald methods: theory and applications to molecular systems.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.The contribution of electrostatic interactions to the collapse of oligoglycine in water.The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.A fast algorithm for treating dielectric discontinuities in charged spherical colloids.Multiple-image treatment of induced charges in Monte Carlo simulations of electrolytes near a spherical dielectric interface.Treecode-based generalized Born method.Treecode algorithm for pairwise electrostatic interactions with solvent-solute polarization.A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system.Biological applications of classical electrostatics methods
P2860
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P2860
An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on October 2009
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
An image-based reaction field ...... ulations of aqueous solutions.
@en
An image-based reaction field ...... ulations of aqueous solutions.
@nl
type
label
An image-based reaction field ...... ulations of aqueous solutions.
@en
An image-based reaction field ...... ulations of aqueous solutions.
@nl
prefLabel
An image-based reaction field ...... ulations of aqueous solutions.
@en
An image-based reaction field ...... ulations of aqueous solutions.
@nl
P2093
P2860
P356
P1476
An image-based reaction field ...... ulations of aqueous solutions.
@en
P2093
Andrij Baumketner
Donald Jacobs
Shaozhong Deng
Yuchun Lin
P2860
P304
P356
10.1063/1.3245232
P407
P577
2009-10-01T00:00:00Z