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21	21	(% style="text-align:center" %)
22	22	[[image:image-20230111154750-1.png||height="263" width="536"]]
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	24	+Since the first eigenvector contains most of the relevant energy information about the interactions in the system, we can approximate the matrix energy to the first eigenvector:
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	26	+(% style="text-align:center" %)
	27	+[[image:image-20230111154917-1.png||height="47" width="225"]]
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	29	+Finally, we can filter the approximated interaction matrix Mio for residues that are in geometric proximity in the structure (closer than 6Å):
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27		-= Who has access? =
	31	+(% style="text-align:center" %)
	32	+[[image:image-20230111155023-1.png||height="48" width="253"]]
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29		-Describe the audience of this collab.
	34	+
	35	+= How to use the script =
	36	+
	37	+Please see the attached documentation files in Drive repository.
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	39	+
	40	+= References =
	41	+
	42	+~1. Scarbelli, G.; Morra, G.; Colombo, G., Predicting Interaction Sites from the Energetics of Isolated Proteins: A New Approach to Epitope Mapping, Biophys. J., 2010, 98, 1966, [[https:~~/~~/doi.org/10.1016%2Fj.bpj.2010.01.014>>https://doi.org/10.1016%2Fj.bpj.2010.01.014]]
	43	+
	44	+2. Genoni, A.; Morra, G.; Colombo, G., Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions, J. Phys. Chem. B, 2012, 116, 10, 3331–3343, [[https:~~/~~/doi.org/10.1021/jp210568a>>https://doi.org/10.1021/jp210568a]]
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	46	+
30	30	)))
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36	36	{{toc/}}
37	37	{{/box}}
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	56	+
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40	40	)))
41	41	)))

image-20230111155023-1.png

Author

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	1	+XWiki.emacasali

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	1	+3.9 KB

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