Katarina Roos

COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: Cloning, structure, and expression

Naduviladath Vishvanath Chandrasekharan, Hu Dai, Katarina Roos et al. · Proceedings of the National Academy of Sciences · 2002 · 2K citations · Full text

Medicine, Biochemistry, Pharmacology +13

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules

Katarina Roos, Chuanjie Wu, Wolfgang Damm et al. · Journal of Chemical Theory and Computation · 2019 · 1.3K citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +16

Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein

Julia J. Griese, Katarina Roos, Nicholas J. Cox et al. · Proceedings of the National Academy of Sciences · 2013 · 56 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Density Functional Theory Study of the Manganese-Containing Ribonucleotide Reductase from <i>Chlamydia trachomatis</i>: Why Manganese Is Needed in the Active Complex

Katarina Roos, Per E. M. Siegbahn · Biochemistry · 2009 · 42 citations

Life Sciences, Biochemistry, Chemistry +15

Electronic Structural Flexibility of Heterobimetallic Mn/Fe Cofactors: R2lox and R2c Proteins

Hannah S. Shafaat, Julia J. Griese, Dimitrios A. Pantazis et al. · Journal of the American Chemical Society · 2014 · 38 citations · Full text

Life Sciences, Biochemistry, Biophysics +17