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Graphical User Interfaces for Molecular Dynamics—Quo Vadis?

In the past years an increasing number of graphical user interfaces for Molecular Dynamics (MD) were presented and concomitantly, more and more Molecular Dynamics studies were published. With the easier application of MD software packages the field runs the risk however, of being pervaded with unrel...

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Detalles Bibliográficos
Autores principales: Knapp, B., Schreiner, W.
Formato: Texto
Lenguaje:English
Publicado: Libertas Academica 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2808181/
https://www.ncbi.nlm.nih.gov/pubmed/20140070
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author Knapp, B.
Schreiner, W.
author_facet Knapp, B.
Schreiner, W.
author_sort Knapp, B.
collection PubMed
description In the past years an increasing number of graphical user interfaces for Molecular Dynamics (MD) were presented and concomitantly, more and more Molecular Dynamics studies were published. With the easier application of MD software packages the field runs the risk however, of being pervaded with unreliable results. Therefore, possible benefits and caveats have to be carefully balanced. Here we outline in which respects a broader access of MD via graphical user interfaces may help to increase the usability of Molecular Dynamics simulations while maintaining their quality.
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spelling pubmed-28081812010-02-04 Graphical User Interfaces for Molecular Dynamics—Quo Vadis? Knapp, B. Schreiner, W. Bioinform Biol Insights Short Commentary In the past years an increasing number of graphical user interfaces for Molecular Dynamics (MD) were presented and concomitantly, more and more Molecular Dynamics studies were published. With the easier application of MD software packages the field runs the risk however, of being pervaded with unreliable results. Therefore, possible benefits and caveats have to be carefully balanced. Here we outline in which respects a broader access of MD via graphical user interfaces may help to increase the usability of Molecular Dynamics simulations while maintaining their quality. Libertas Academica 2009-09-23 /pmc/articles/PMC2808181/ /pubmed/20140070 Text en Copyright © 2009 The authors. http://creativecommons.org/licenses/by/2.0 This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/2.0/).
spellingShingle Short Commentary
Knapp, B.
Schreiner, W.
Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title_full Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title_fullStr Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title_full_unstemmed Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title_short Graphical User Interfaces for Molecular Dynamics—Quo Vadis?
title_sort graphical user interfaces for molecular dynamics—quo vadis?
topic Short Commentary
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2808181/
https://www.ncbi.nlm.nih.gov/pubmed/20140070
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