MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

As molecular dynamics (MD) simulations continue to evolve into powerful computational tools for studying complex biomolecular systems, the necessity of flexible and easy-to-use software tools for the analysis of these simulations is growing. We have developed MDTraj, a modern, lightweight, and fast...

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Detalles Bibliográficos
Publicado en:Biophys J
Main Authors: McGibbon, Robert T., Beauchamp, Kyle A., Harrigan, Matthew P., Klein, Christoph, Swails, Jason M., Hernández, Carlos X., Schwantes, Christian R., Wang, Lee-Ping, Lane, Thomas J., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado: The Biophysical Society 2015
Assuntos:
Computational Tools
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4623899/
https://ncbi.nlm.nih.gov/pubmed/26488642
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2015.08.015
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