(Q57831779)

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Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems

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Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems (English)

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Michael Brunsteiner

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Stefan Boresch

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Stefan Boresch

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2

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language of work or name

English

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publication date

22 April 2000

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published in

Journal of Chemical Physics

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volume

112

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issue

16

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page(s)

6953-6955

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Ion sizes and finite-size corrections for ionic-solvation free energies

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21 January 2018

Hydration free energy of water

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21 January 2018

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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21 January 2018

Canonical dynamics: Equilibrium phase-space distributions

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21 January 2018

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

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21 January 2018

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

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21 January 2018

Rationalizing the effects of modified electrostatic interactions in computer simulations: The dielectric self-consistent field method

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21 January 2018

Simulation of activation free energies in molecular systems

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21 January 2018

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DOI

10.1063/1.481290

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(Q57831779)

Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems

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