Cysteine side chains can exist in distinct oxidation states depending on the pH and redox
potential of the environment, and cysteine oxidation plays important yet complex regulatory …

Many important protein functions are carried out through proton-coupled conformational
dynamics. Thus, the ability to accurately model protonation states dynamically has wide …

Constant pH molecular dynamics (MD) simulations sample protonation states on the fly
according to the conformational environment and user specified pH conditions; however, the …

Methylglyoxal (MGO), a reactive metabolite byproduct of glucose metabolism, is known to
form a variety of posttranslational modifications (PTMs) on nucleophilic amino acids. For …

Analysis of the SARS-CoV-2 sequence revealed a multibasic furin cleavage site at the
S1/S2 boundary of the spike protein distinguishing this virus from SARS-CoV. Furin, the best …

Tools for on‐demand protein activation enable impactful gain‐of‐function studies in
biological settings. Thus far, however, proteins have been chemically caged at primarily Lys …

Plants have developed multilayered defense strategies to adapt and acclimate to the
kaleidoscopic environmental changes that rapidly produce reactive oxygen species (ROS) …

We developed a multienzyme biocatalytic cascade with high atom efficiency and a self-
sufficient redox network for the synthesis of nylon monomers without adding auxiliary …

Legionella pneumophila utilizes the Dot/Icm type IVB secretion system to deliver hundreds
of effector proteins inside eukaryotic cells to ensure intracellular replication. Our …

The electrostatic properties of proteins arise from the number and distribution of polar and
charged residues. Electrostatic interactions in proteins play a critical role in numerous …