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- Q_(software) abstract "Q is a Molecular Dynamics (MD) simulation package which, unlike other MD codes, has specialized since its conception (Marelius et al. 1998) on three specific types of free energy calculations. These calculations are based on the Empirical Valence Bond (EVB) approach, the Free Energy Perturbation (FEP) method, and the Linear Interaction Energy (LIE) method.The three methods that the program specializes on can return quantitative calculations of the energetic balance which occurs in proteins and nucleic acids. It can provide insight into key problems in biochemistry such as, energetic details on parts of the translation mechanism in mitochondrial ribosomes (Lind et al. 2013), or details in enzymatic reactions (Mones et al. 2013) among others.The program is similar to gromacs in the sense that it's force-field agnostic, meaning that it does not provide a force-field itself, but it can rather use common force-fields such as CHARMM, AMBER, OPLS, and GROMOS.The software provides one main utility for molecular dynamics called qdyn, and various subprograms such as qprep (to prepare input files from X-ray coordinates), qfep (to process MD calculations for FEP) and others.".
- Q_(software) author Sweden.
- Q_(software) author Uppsala_University.
- Q_(software) genre Molecular_dynamics.
- Q_(software) latestReleaseVersion "5.0.6".
- Q_(software) operatingSystem Linux.
- Q_(software) operatingSystem Microsoft_Windows.
- Q_(software) operatingSystem OS_X.
- Q_(software) operatingSystem Unix.
- Q_(software) programmingLanguage Fortran.
- Q_(software) wikiPageExternalLink q.
- Q_(software) wikiPageID "45088683".
- Q_(software) wikiPageLength "4147".
- Q_(software) wikiPageOutDegree "28".
- Q_(software) wikiPageRevisionID "643336661".
- Q_(software) wikiPageWikiLink AMBER.
- Q_(software) wikiPageWikiLink CHARMM.
- Q_(software) wikiPageWikiLink Category:Molecular_dynamics_software.
- Q_(software) wikiPageWikiLink Cygwin.
- Q_(software) wikiPageWikiLink Empirical_valence_bond.
- Q_(software) wikiPageWikiLink Force_field_implementation.
- Q_(software) wikiPageWikiLink Fortran.
- Q_(software) wikiPageWikiLink Free_energy_perturbation.
- Q_(software) wikiPageWikiLink GROMACS.
- Q_(software) wikiPageWikiLink GROMOS.
- Q_(software) wikiPageWikiLink Linux.
- Q_(software) wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- Q_(software) wikiPageWikiLink Microsoft_Windows.
- Q_(software) wikiPageWikiLink Molecular_design_software.
- Q_(software) wikiPageWikiLink Molecular_dynamics.
- Q_(software) wikiPageWikiLink Molecular_modeling_on_GPUs.
- Q_(software) wikiPageWikiLink NAMD.
- Q_(software) wikiPageWikiLink OPLS.
- Q_(software) wikiPageWikiLink OS_X.
- Q_(software) wikiPageWikiLink Sweden.
- Q_(software) wikiPageWikiLink Unix.
- Q_(software) wikiPageWikiLink Uppsala_University.
- Q_(software) wikiPageWikiLink YASARA.
- Q_(software) wikiPageWikiLinkText "Q".
- Q_(software) author "The Q development team at Uppsala University, Sweden".
- Q_(software) genre Molecular_dynamics.
- Q_(software) latestReleaseDate "2007".
- Q_(software) latestReleaseVersion "5".
- Q_(software) name "Q".
- Q_(software) operatingSystem "Linux, OS X, Windows by Cygwin, any other Unix variety".
- Q_(software) programmingLanguage Fortran.
- Q_(software) released "1999".
- Q_(software) wikiPageUsesTemplate Template:Chem-stub.
- Q_(software) wikiPageUsesTemplate Template:Columns-list.
- Q_(software) wikiPageUsesTemplate Template:Infobox_software.
- Q_(software) wikiPageUsesTemplate Template:URL.
- Q_(software) subject Category:Molecular_dynamics_software.
- Q_(software) hypernym Package.
- Q_(software) type Software.
- Q_(software) type Work.
- Q_(software) type CreativeWork.
- Q_(software) type Thing.
- Q_(software) type Q386724.
- Q_(software) type Q7397.
- Q_(software) comment "Q is a Molecular Dynamics (MD) simulation package which, unlike other MD codes, has specialized since its conception (Marelius et al. 1998) on three specific types of free energy calculations.".
- Q_(software) label "Q (software)".
- Q_(software) sameAs m.012njjp_.
- Q_(software) wasDerivedFrom Q_(software)?oldid=643336661.
- Q_(software) homepage q.
- Q_(software) isPrimaryTopicOf Q_(software).
- Q_(software) name "Q".