A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations (Q57235431)

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23 January 2020

title

A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations (English)

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23 January 2020

1

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23 January 2020

Wilfred F van Gunsteren

series ordinal

2

object named as

Wilfred F van Gunsteren

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language of work or name

English

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publication date

1 February 2011

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Journal of Chemical Physics

23 January 2020

published in

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volume

134

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issue

8

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23 January 2020

page(s)

084110

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Multiscale coarse graining of liquid-state systems

23 January 2020

cites work

1 reference

Representability problems for coarse-grained water potentials.

21 January 2018

1 reference

Role of short-range directional interactions in coarse-graining of protic/aprotic liquids.

21 January 2018

1 reference

On the investigation of coarse-grained models for water: balancing computational efficiency and the retention of structural properties

21 January 2018

1 reference

Deriving effective mesoscale potentials from atomistic simulations.

21 January 2018

1 reference

On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models.

21 January 2018

1 reference

A new coarse-grained model for water: the importance of electrostatic interactions.

21 January 2018

1 reference

Polarizable water model for the coarse-grained MARTINI force field

21 January 2018

1 reference

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

21 January 2018

1 reference

The GROMOS software for biomolecular simulation: GROMOS05.

21 January 2018

1 reference

The missing term in effective pair potentials

21 January 2018

1 reference

Development of a nonlinear classical polarization model for liquid water and aqueous solutions: COS/D.

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

Development of a simple, self-consistent polarizable model for liquid water

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

Estimating entropies from molecular dynamics simulations

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

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3553378

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23 January 2020

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