GROMACS

Known as: Gromacs MD, Gromacs MD code 
GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic… (More)
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Highly Cited
2015
Highly Cited
2015
GROMACS is one of the most widely used open-source and free software codes in chemistry, used primarily for dynamical simulations… (More)
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Highly Cited
2014
Highly Cited
2014
Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), a method to estimate interaction free energies, has been… (More)
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2014
2014
Molecular dynamics (MD) simulations are a state-of-the-art computational method used to investigate molecular interactions at… (More)
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Highly Cited
2013
Highly Cited
2013
MOTIVATION Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of… (More)
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Review
2010
Review
2010
Molecular dynamics simulations with coarse-grained and/or simplified Hamiltonians are an effective means of capturing the… (More)
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2007
2007
We investigate the parallel scaling of the GROMACS molecular dynamics code on Ethernet Beowulf clusters and what prerequisites… (More)
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2007
2007
The Cell processor offers substantial computational power which can be effectively utilized only if application design and… (More)
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Highly Cited
2005
Highly Cited
2005
This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the… (More)
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Highly Cited
2001
Highly Cited
2001
is the latest release of a versatile and very well optimized package for molecular simulation. Much effort has been devoted to… (More)
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Highly Cited
1995
Highly Cited
1995
A parallel message-passing implementation of a molecular dynamics (MD) program that is useful for bio(macro)molecules in aqueous… (More)
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