Barbara H. Munk

Calculation of p<i>K</i>_a Values of Nucleobases and the Guanine Oxidation Products Guanidinohydantoin and Spiroiminodihydantoin using Density Functional Theory and a Polarizable Continuum Model

Vincenzo Verdolino, Roberto Cammi, Barbara H. Munk et al. · The Journal of Physical Chemistry B · 2008 · 188 citations

Pharmacy, Biochemistry, Molecular Biology +16

An Exploration of Mechanisms for the Transformation of 8-Oxoguanine to Guanidinohydantoin and Spiroiminodihydantoin by Density Functional Theory

Barbara H. Munk, Cynthia J. Burrows, H. Bernhard Schlegel · Journal of the American Chemical Society · 2008 · 90 citations

Natural Sciences, Biochemistry, Chemistry +17

Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases

Brian T. Psciuk, Richard L. Lord, Barbara H. Munk et al. · Journal of Chemical Theory and Computation · 2012 · 82 citations

Natural Sciences, Biochemistry, Chemistry +17

Exploration of Mechanisms for the Transformation of 8-Hydroxy Guanine Radical to FAPyG by Density Functional Theory

Barbara H. Munk, Cynthia J. Burrows, H. Bernhard Schlegel · Chemical Research in Toxicology · 2007 · 48 citations

Natural Sciences, Biochemistry, Chemistry +13

Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials

John Vant, Shae-Lynn Lahey, Kalyanashis Jana et al. · Journal of Chemical Information and Modeling · 2020 · 42 citations · Full text

Natural Sciences, Biophysics, Chemistry +17