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Free energy perturbation and Q (software)

Shortcuts: Differences, Similarities, Jaccard Similarity Coefficient, References.

Difference between Free energy perturbation and Q (software)

Free energy perturbation vs. Q (software)

Free energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free energy differences from molecular dynamics or Metropolis Monte Carlo simulations. Q is a computer software package for molecular dynamics (MD) simulation (current release: Q6).

Similarities between Free energy perturbation and Q (software)

Free energy perturbation and Q (software) have 5 things in common (in Unionpedia): AMBER, CHARMM, GROMACS, Molecular dynamics, NAMD.

AMBER

Assisted Model Building with Energy Refinement (AMBER) is a family of force fields for molecular dynamics of biomolecules originally developed by Peter Kollman's group at the University of California, San Francisco.

AMBER and Free energy perturbation · AMBER and Q (software) · See more »

CHARMM

Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them.

CHARMM and Free energy perturbation · CHARMM and Q (software) · See more »

GROMACS

GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic acids.

Free energy perturbation and GROMACS · GROMACS and Q (software) · See more »

Molecular dynamics

Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules.

Free energy perturbation and Molecular dynamics · Molecular dynamics and Q (software) · See more »

NAMD

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model.

Free energy perturbation and NAMD · NAMD and Q (software) · See more »

The list above answers the following questions

Free energy perturbation and Q (software) Comparison

Free energy perturbation has 31 relations, while Q (software) has 34. As they have in common 5, the Jaccard index is 7.69% = 5 / (31 + 34).

References

This article shows the relationship between Free energy perturbation and Q (software). To access each article from which the information was extracted, please visit:

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