GROMACS molecule &amp; liquid database (Q34124849)

31 July 2017

title

GROMACS molecule & liquid database (English)

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31 July 2017

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David van der Spoel

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31 July 2017

Paul J van Maaren

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31 July 2017

Carl Caleman

series ordinal

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31 July 2017

language of work or name

English

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publication date

11 January 2012

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31 July 2017

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inferred from page(s)

published in

Bioinformatics

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31 July 2017

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31 July 2017

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31 July 2017

page(s)

752-753

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maintained by WikiProject

31 July 2017

WikiProject Software

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cites work

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR data

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

On the use of orientational restraints and symmetry corrections in alchemical free energy calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Molden: a pre- and post-processing program for molecular and electronic structures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Basis Set Exchange: A Community Database for Computational Sciences

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

Development and testing of a general amber force field

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTS020

10.1093/BIOINFORMATICS/BTS020

21 January 2018

Identifiers

DOI

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journals/bioinformatics/SpoelMC12

31 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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