File:Cation pi.png

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Cation_pi.png (495 × 435 pixels, file size: 132 KB, MIME type: image/png)

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Cody Couperus

A cation-π interaction between Trp128 and Arg 129 in alpha thrombin (PDB: 2BDY). The guanidinium carbon is 3.6 angstroms from the top edge of the Trp. It is expected that the epsilon nitrogen forms the primary cation-π interaction. The electrostatic and Van der Waals interaction energies were calculated to be -3.29 kcal/mol and -3.08 kcal/mol respectively by the CaPTURE program (https://capture.caltech.edu/result.cgi).

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Cody Couperus

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current06:19, 30 April 2014Thumbnail for version as of 06:19, 30 April 2014495 × 435 (132 KB)Cody Couperus (talk | contribs)A cation-π interaction between Trp128 and Arg 129 in alpha thrombin (PDB: 2BDY). The guanidinium carbon is 3.6 angstroms from the top edge of the Trp. It is expected that the epsilon nitrogen forms the primary cation-π interaction. The electrostatic and

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