Triple bonds, such as that formed between two carbon atoms (ie, C≡ C) or that formed
between one carbon atom and one nitrogen atom (ie, C≡ N), afford unique chemical …

Due to advances in methods for site-specific incorporation of unnatural amino acids (UAAs)
into proteins, a large number of UAAs with tailored chemical and/or physical properties have …

The structural dynamics of biological macromolecules, such as proteins, DNA/RNA, or
complexes thereof, are strongly influenced by protonation changes of their typically many …

We present a comprehensive investigation on the different role of CO in carboxyneuroglobin
(1) as ligand of the heme group in the active site forming a bond with the heme iron and (2) …

Controlling reactivity with electric fields is a persistent challenge in chemistry. One approach
is to tether ions at well-defined locations near a reactive center. To quantify fields arising …

Understanding the adsorption of organic molecules on metals is important in numerous
areas of surface science, including electrocatalysis, electrosynthesis, and biosensing. While …

Vibrational Stark shifts were explored in aqueous solutions of organic molecules with
carbonyl-and nitrile-containing constituents. In many cases, the vibrational resonances from …

The temperature dependence of the peak frequency (νmax) of the C≡ N stretching
vibrational spectrum of a hydrogen-bonded C≡ N species is known to be a qualitative …

Protein–protein interactions regulate many cellular processes, making them ideal drug
candidates. Design of such drugs, however, is hindered by a lack of understanding of the …

Understanding the factors that contribute to specificity of protein–protein interactions allows
for design of orthosteric small molecules. Within this environment, a small molecule requires …