Transparent window vibrational probes for the characterization of proteins with high structural and temporal resolution
R Adhikary, J Zimmermann, FE Romesberg - Chemical reviews, 2017 - ACS Publications
Vibrational spectroscopy provides a direct route to the physicochemical characterization of
molecules. While both IR and Raman spectroscopy have been used for decades to provide …
molecules. While both IR and Raman spectroscopy have been used for decades to provide …
Novel protein science enabled by total chemical synthesis
SBH Kent - Protein Science, 2019 - Wiley Online Library
Chemical synthesis is a well‐established method for the preparation in the research
laboratory of multiple‐tens‐of‐milligram amounts of correctly folded, high purity protein …
laboratory of multiple‐tens‐of‐milligram amounts of correctly folded, high purity protein …
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
Enzymes use protein architectures to create highly specialized structural motifs that can
greatly enhance the rates of complex chemical transformations. Here, we use experiments …
greatly enhance the rates of complex chemical transformations. Here, we use experiments …
Fluctuations of electric fields in the active site of the enzyme ketosteroid isomerase
VV Welborn, T Head-Gordon - Journal of the American Chemical …, 2019 - ACS Publications
We report the effect of conformational dynamics on the fluctuations of electric fields in the
active site of the enzyme ketosteroid isomerase (KSI). While KSI is considered to be a rigid …
active site of the enzyme ketosteroid isomerase (KSI). While KSI is considered to be a rigid …
Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe
M Stitch, D Avagliano, D Graczyk, IP Clark… - Journal of the …, 2023 - ACS Publications
The nitrile containing Ru (II) polypyridyl complex [Ru (phen) 2 (11, 12-dCN-dppz)] 2+(1) is
shown to act as a sensitive infrared probe of G-quadruplex (G4) structures. UV–visible …
shown to act as a sensitive infrared probe of G-quadruplex (G4) structures. UV–visible …
High throughput and quantitative enzymology in the genomic era
Accurate predictions from models based on physical principles are the ultimate metric of our
biophysical understanding. Although there has been stunning progress toward structure …
biophysical understanding. Although there has been stunning progress toward structure …
Accurate ab initio calculations of O–H⋯ O and O–H⋯− O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen …
The inability to determine precisely the location of labile protons in X-ray molecular
structures has been a key barrier to progress in many areas of molecular sciences. We …
structures has been a key barrier to progress in many areas of molecular sciences. We …
Rapid sampling of hydrogen bond networks for computational protein design
Hydrogen bond networks play a critical role in determining the stability and specificity of
biomolecular complexes, and the ability to design such networks is important for …
biomolecular complexes, and the ability to design such networks is important for …
Live-cell vibrational imaging of choline metabolites by stimulated Raman scattering coupled with isotope-based metabolic labeling
Choline is a small molecule that occupies a key position in the biochemistry of all living
organisms. Recent studies have strongly implicated choline metabolites in cancer …
organisms. Recent studies have strongly implicated choline metabolites in cancer …
Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical …
The exact knowledge of hydrogen atomic positions of O–H··· O hydrogen bonds in solution
and in the solid state has been a major challenge in structural and physical organic …
and in the solid state has been a major challenge in structural and physical organic …