(Q51139042)

30 March 2018

title

Generalized coarse-grained model based on point multipole and Gay-Berne potentials. (English)

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author name string

Pavel A Golubkov

series ordinal

1

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Pengyu Ren

series ordinal

2

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language of work or name

English

0 references

publication date

1 August 2006

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Journal of Chemical Physics

published in

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volume

125

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issue

6

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page(s)

64103

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The electronic structure of some diatomic molecules

cites work

1 reference

How to describe protein motion without amino acid sequence and atomic coordinates.

21 January 2018

1 reference

Molecular dynamics simulation study on the phase behavior of the Gay-Berne model with a terminal dipole and a flexible tail.

21 January 2018

1 reference

Modeling benzene with single-site potentials from ab initio calculations: a step toward hybrid models of complex molecules.

21 January 2018

1 reference

Coarse graining using pretabulated potentials: liquid benzene

21 January 2018

1 reference

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations

21 January 2018

1 reference

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

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

21 January 2018

1 reference

Coarse grain models and the computer simulation of soft materials

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

A generalized Gay-Berne intermolecular potential for biaxial particles

21 January 2018

1 reference

A Gay–Berne potential for dissimilar biaxial particles

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2244553

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30 March 2018

PubMed ID

16942269

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30 March 2018