Electrostatic potential maps

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It is revealing to visualize the distribution of electrostatic charges, electrostatic potential, on molecular surfaces. Most protein-protein and protein-ligand interactions are largely electrostatic in nature, via hydrogen bonds and ionic interactions. Their strengths are modulated by the nature of the solvent: pure water or high ionic strength aqueous solution.

Gallery

Protein 1pgb is in the same orientation in all images. Positive + / Negative -
Electrostatic potential map rendered by PyMOL. Electrostatic potential map rendered by iCn3D. Van der Waals model colored by charge wtih FirstGlance in Jmol. Sidechain nitrogens on Arg/Lys; oxygens on Asp/Glu.
Electrostatic potential map of 1tsj made with the Embedded Python Molecular Viewer from the Center for Computational Structural Biology of the Scripps Research Institute.

Click on the image to enlarge. |}

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References

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Eric Martz

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