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graphs

Chapter 6 called Graph Theory in my book 'A handbook of mathematical models with python' talks about graphs, graph-structured data, and how they serve as inputs to graph neural networks (GNNs).

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Buy book from Amazon: https://a.co/d/7Yz0usb

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Studying a protein with an elastic network model that includes coarse-grained Gaussian network model (GNM) and atomic anisotropic network model (ANM):

https://www.pnas.org/doi/full/10.1073/pnas.0902159106

https://www3.mpibpc.mpg.de/groups/de_groot/pdf/Hayward_deGroot_nm_ed.pdf

-> Elastic network model (coarse-grained model) to study protein dynamics:

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https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6320916/

-> My work on anisotropic network model:

  1. https://link.springer.com/article/10.1186/s13628-017-0034-9

  2. https://www.sciencedirect.com/science/article/abs/pii/S0025556417303140

Wikipedia reference: https://en.wikipedia.org/wiki/Anisotropic_Network_Model

Studying protein dynamics with python: http://prody.csb.pitt.edu/tutorials/enm_analysis/

OTHER USE CASES

-> Find most optimal (flight) routes in terms of distance & airtime using Dijkstra algorithm from (weighted) graphs

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More on Dijkstra algorithm for a graph geodesic:

https://mathworld.wolfram.com/DijkstrasAlgorithm.html

-> Create knowledge graphs (directed) from unstructured data (document, webpage, etc.):

https://colab.research.google.com/drive/1EF_ra7u6qHqG5p5vmYDYC9X5Y06hsub7?usp=sharing

-> Do social network analysis with graphs from your data of connections/contacts on social site 1

-> There are operations research problems (routing etc.) that can be solved utilizing Network Science.