(Q47897360)

6 February 2018

title

A novel approach for designing simple point charge models for liquid water with three interaction sites (English)

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author

Xavier Daura

series ordinal

2

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author name string

Alice Glättli

series ordinal

1

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6 February 2018

Wilfred F Van Gunsteren

series ordinal

3

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publication date

1 July 2003

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Journal of Computational Chemistry

published in

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6 February 2018

volume

24

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issue

9

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page(s)

1087-1096

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6 February 2018

The missing term in effective pair potentials

cites work

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Dynamics in liquid water, water-d2, and water-t2: a comparative simulation study

21 January 2018

1 reference

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

21 January 2018

1 reference

On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations

21 January 2018

1 reference

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

21 January 2018

1 reference

Water in channel-like cavities: structure and dynamics.

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

Free Energies of Transfer of Trp Analogs from Chloroform to Water: Comparison of Theory and Experiment and the Importance of Adequate Treatment of Electrostatic and Internal Interactions

21 January 2018

1 reference

Peptide folding simulations: no solvent required?

21 January 2018

1 reference

Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L

21 January 2018

1 reference

Excess free energy of liquids from molecular dynamics simulations. Application to water models

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.10235

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6 February 2018

DBLP publication ID

journals/jcc/GlattliDG03

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DBLP Dataset 2021-01-02

28 January 2021

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6 February 2018