Dynamical Network Analysis¶
This package was built to provide an updated and enhanced Python implementation of the Dynamical Network Analysis method, for the analysis of Molecular Dynamics simulations. The package was optimized for interactive data analysis and visualization through Jupyter Notebooks (see Tutorial), and provides an interface for rendering publication-quality figures using VMD. It allows for extensive customization of analysis workflows to suit research-specific needs.
Indices and tables¶
Resources and References¶
To cite this package please use the following publication:
Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics trajectories. JCP (2020). DOI: 10.1063/5.0018980
For further discussion and scientific background, please refer to:
Aug 23, 2023