title: 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.
authors.affiliation: Department of Chemistry, University of Helsinki, P.O. Box 55 (A.I. Virtanens plats 1), FI-00014 Helsinki, Finland.
authors.forename: Heike
authors.initials: H
authors.lastname: Fliegl
authors.forename: Olli
authors.initials: O
authors.lastname: Lehtonen
authors.forename: Dage
authors.initials: D
authors.lastname: Sundholm
authors.forename: Ville R I
authors.initials: VR
authors.lastname: Kaila
mesh_terms: D002256:Carbonic Anhydrases / Q000737:chemistry; D006860:Hydrogen Bonding; D007700:Kinetics; D008280:Magnetics; D011522:Protons; D013816:Thermodynamics
chemical_list: D011522:Protons; D002256:Carbonic Anhydrases