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List of works by Katie Mitchell-Koch

Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous (19)F-NMR spectra of fluorohistidine isomers and analogues.

scientific article

Entropy connects water structure and dynamics in protein hydration layer

article

Evaluating electronic structure methods for accurate calculation of 19 F chemical shifts in fluorinated amino acids

scientific article published on 21 August 2017

How Does Solvation Layer Mobility Affect Protein Structural Dynamics?

article

In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic Function

scientific article published on 14 July 2017

Molecular Modeling of Cetylpyridinium Bromide, a Cationic Surfactant, in Solutions and Micelle.

scientific article published on 14 October 2015

New Insights into the Dynamics of Zwitterionic Micelles and Their Hydration Waters by Gigahertz-to-Terahertz Dielectric Spectroscopy

scientific article published on 23 September 2016

On the Reorientation and Hydrogen-Bond Dynamics of Alcohols

article

Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics

scientific article published on 22 March 2019

Tautomeric stabilities of 4-fluorohistidine shed new light on mechanistic experiments with labeled ribonuclease A.

scientific article published on 27 October 2016

The Biophysical Probes 2-fluorohistidine and 4-fluorohistidine: Spectroscopic Signatures and Molecular Properties

scientific article

The study and application of biomolecules in deep eutectic solvents

scientific article published on 08 December 2020

To Keep or Not to Keep? The Question of Crystallographic Waters for Enzyme Simulations in Organic Solvent.

scientific article

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