Katarina Roos
Uppsala, C, Sweden
Last Updated: 09/26/2026
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Found 8 publications
Structure of a ribonucleotide reductase R2 protein radical.
Journal: Science (New York, N.Y.)
Published: October 05, 2023
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
Journal: Journal of chemical theory and computation
Published: February 16, 2019
Predicting the relative binding affinity of mineralocorticoid receptor antagonists by density functional methods.
Journal: Journal of computer-aided molecular design
Published: July 08, 2015
Potency prediction of β-secretase (BACE-1) inhibitors using density functional methods.
Journal: Journal of chemical information and modeling
Published: January 25, 2014
Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: October 09, 2013
Activation of dimanganese class Ib ribonucleotide reductase by hydrogen peroxide: mechanistic insights from density functional theory.
Journal: Inorganic chemistry
Published: March 30, 2013
A comparison of two-electron chemistry performed by the manganese and iron heterodimer and homodimers.
Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
Published: August 17, 2011
Oxygen cleavage with manganese and iron in ribonucleotide reductase from Chlamydia trachomatis.
Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
Published: September 12, 2010
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Last Updated: 09/26/2026