Issue 2, 2011
From the journal:

Physical Chemistry Chemical Physics

Hydrogen-bond strengths by magnetically induced currents†

Heike Fliegl,a   Olli Lehtonen,a   Dage Sundholm*a  and  Ville R. I. Kaila‡*ab  

* Corresponding authors

a Department of Chemistry, University of Helsinki, P.O. Box 55 (A.I. Virtanens plats 1), FI-00014 Helsinki, Finland
E-mail: Dage.Sundholm@helsinki.fi
Fax: +358-9-191 50169
Tel: +358-9-191-50176

b Helsinki Bioenergetics Group, Structural Biology and Biophysics Programme, Institute of Biotechnology, University of Helsinki, P. O. Box 65, FI-00014 Helsinki, Finland
E-mail: Ville.Kaila@helsinki.fi, Ville.Kaila@nih.gov

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.

Graphical abstract: Hydrogen-bond strengths by magnetically induced currents

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Article information

DOI
https://doi.org/10.1039/C0CP00622J
Article type
Communication
Submitted
19 May 2010
Accepted
13 Oct 2010
First published
12 Nov 2010

Phys. Chem. Chem. Phys., 2011,13, 434-437

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Hydrogen-bond strengths by magnetically induced currents

H. Fliegl, O. Lehtonen, D. Sundholm and V. R. I. Kaila, Phys. Chem. Chem. Phys., 2011, 13, 434 DOI: 10.1039/C0CP00622J

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