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

Por Verma, Rajni, Mitchell-Koch, Katie
Publicado no Catalysts (2017)

Entropy connects water structure and dynamics in protein hydration layer

Por Dahanayake, Jayangika N., Mitchell-Koch, Katie R.
Publicado no Phys Chem Chem Phys (2018)

How Does Solvation Layer Mobility Affect Protein Structural Dynamics?

Por Dahanayake, Jayangika N., Mitchell-Koch, Katie R.
Publicado no Front Mol Biosci (2018)

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

Por Kasireddy, Chandana, Bann, James G., Mitchell-Koch, Katie R.
Publicado no Phys Chem Chem Phys (2015)

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

Por Dahanayake, Jayangika N., Gautam, Devaki N., Verma, Rajni, Mitchell-Koch, Katie R.
Publicado no Mol Simul (2016)

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

Por Kasireddy, Chandana, Ellis, Jonathan M., Bann, James G., Mitchell-Koch, Katie R.
Publicado no Sci Rep (2017)

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

Por Kasireddy, Chandana, Ellis, Jonathan M., Bann, James G., Mitchell-Koch, Katie R.
Publicado no Chem Phys Lett (2016)

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

Por Dahanayake, Jayangika N., Kasireddy, Chandana, Ellis, Jonathan M., Hildebrandt, Derek, Hull, Olivia A., Karnes, Joseph P., Morlan, Dylan, Mitchell-Koch, Katie R.
Publicado no J Comput Chem (2017)

Strategic Grassland Bird Conservation throughout the Annual Cycle: Linking Policy Alternatives, Landowner Decisions, and Biological Population Outcomes

Por Drum, Ryan G., Ribic, Christine A., Koch, Katie, Lonsdorf, Eric, Grant, Evan, Ahlering, Marissa, Barnhill, Laurel, Dailey, Thomas, Lor, Socheata, Mueller, Connie, Pavlacky, David C., Rideout, Catherine, Sample, David
Publicado no PLoS One (2015)