Issue 2, 2011

Hydrogen-bond strengths by magnetically induced currents

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

Supplementary files

Article information

Article type
Communication
Submitted
19 May 2010
Accepted
13 Oct 2010
First published
12 Nov 2010

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

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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