Hydrogen-bond strengths by magnetically induced currents |
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| Authors: | Fliegl Heike Lehtonen Olli Sundholm Dage Kaila Ville R I |
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| Affiliation: | Department of Chemistry, University of Helsinki, P.O. Box 55 (A.I. Virtanens plats 1), FI-00014 Helsinki, Finland. |
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| Abstract: | ![]()
We present here a "non-invasive" computational method to estimate the strength of individual hydrogen bonds using magnetically induced currents. The method is calibrated using H-bonding dimers, and applied on Watson-Crick DNA base pairs and proton wires in carbonic anhydrase. |
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