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  • complex.png
  • electrostatics.png

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Title

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	1	+2.1 Calculate the electrostatic potential of a protein from its atomic structure

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48	48	This figure illustrates a structure of enzyme adenylyl cyclase 5 (AC5).
49	49
	50	+(% style="text-align:center" %)
50	50	[[image:electrostatics.png||alt="Electrostatics of AC5" height="388" width="500"]]
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52	52	This is a representation of a molecular viewer that demonstrates a computed electrostatic potential. The potential is set to zero inside the solvent excluded volume of AC5, to make visualization easier. The potential is displayed as two isopotential surfaces, at potentials of {{formula}}1\ k_B T/e{{/formula}} (blue) and {{formula}}-1 k_B T/e{{/formula}} (red). For comparison, the same potential is shown in Figure 4F of [[Tong et al (2016)>>https://doi.org/10.1002/prot.25167]].
	54	+
	55	+== Related Jupyter Notebook ==
	56	+
	57	+Please note: In the lab where the notebook is running, please select the kernel: EBRAINS-23.02
	58	+
	59	+{{jupyterlink}}
	60	+https://lab.ebrains.eu/user-redirect/lab/tree/shared/Molecular%20Tools:%20protein%20association%20rates%20and%20binding%20sites/JN/multipipsaCalcEP.ipynb
	61	+{{/jupyterlink}}

complex.png

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electrostatics.png

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