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Exploring Biological Electron Transfer Pathway Dynamics with the Pathways Plugin for VMD

We describe the new Pathways plugin for the molecular visualization program VMD. The plugin identifies and visualizes tunneling pathways and pathway families in biomolecules and calculates relative electronic couplings. The plugin includes unique features to estimate the importance of individual ato...

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Autors principals: Balabin, Ilya A., Hu, Xiangqian, Beratan, David N.
Format: Artigo
Idioma:Inglês
Publicat: 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3288650/
https://ncbi.nlm.nih.gov/pubmed/22298319
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.22927
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