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New Publications

An active site rearrangement within the Tetrahymena group I ribozyme releases nonproductive interactions and allows formation of catalytic interactions.

RNA, (2016) 22, 32-48
DOI: 10.1261/rna.053710.115 Download PDF

Charge-dependent many-body exchange and dispersion interactions in combined QM/MM simulations

J. Chem. Phys, (2015) 143, 234111
DOI: 10.1063/1.4937166 Download PDF

Force Field for Mg2+, Mn2+, Zn2+, and Cd2+ Ions That Have Balanced Interactions with Nucleic Acids

J. Phys. Chem. B., (2015) 119, 15460-15460
DOI: 10.1021/acs.jpcb.5b10423 Download PDF

Integration of kinetic isotope effect analyses to elucidate ribonuclease mechanism

Biochim Biophys Acta, (2015) 1854, 1801-1808
DOI: 10.1016/j.bbapap.2015.04.022 Download PDF

Enzyme transition states from theory and experiment

Biochim. Biophys. Acta, (2015) 1854, 1727–1728
DOI: 10.1016/j.bbapap.2015.08.006 Download PDF

Heavy Atom Labeled Nucleotides for Measurement of Kinetic Isotope Effects

Biochim. Biophys. Acta, (2015) 1854, 1737-1745
DOI: 10.1016/j.bbapap.2015.03.007 Download PDF

Effect of Zn2+ binding and enzyme active site on the transition state for RNA 2'-O-transphosphorylation interpreted through kinetic isotope effects

Biochim. Biophys. Acta, (2015) 1854, 1795-1800
DOI: 10.1016/j.bbapap.2015.02.022. Download PDF

Cation–Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting

J. Am. Chem. Soc., (2015) 137, 14705-14715
DOI: 10.1021/jacs.5b08395 Download PDF

Competitive interaction of monovalent cations with DNA from 3D-RISM

Nucleic Acids Res., (2015) 43, 8405-8415
DOI: 10.1093/nar/gkv830 Download PDF

Determination of hepatitis delta virus ribozyme N(–1) nucleobase and functional group specificity using internal competition kinetics

Anal. Biochem., (2015) 483, 12-20
DOI: 10.1016/j.ab.2015.04.024 Download PDF

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