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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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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2012
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| Schlagworte: | |
| Online Zugang: | 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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