Hydrogen-bond strengths by magnetically induced currents

Phys Chem Chem Phys. 2011 Jan 14;13(2):434-7. doi: 10.1039/c0cp00622j. Epub 2010 Nov 12.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbonic Anhydrases / chemistry
  • Hydrogen Bonding
  • Kinetics
  • Magnetics*
  • Protons
  • Thermodynamics

Substances

  • Protons
  • Carbonic Anhydrases