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The specificity and structure of DNA crosslinking by the gut bacterial genotoxin colibactin
bioRxiv
Dynamic Charge Distribution as a Key Driver of Catalytic Reactivity in an Artificial Metalloenzyme
Miniature artificial metalloenzymes such as mimochromes, which consist of a heme center protected by an upper and lower helix, provide …
ChemRxiv
Mechanophore cross-linking enhances ballistic energy dissipation of polymers
Out-of-Equilibrium Confinement Catalysis Mediated by Compressive Force
Photochemical Fluoroalkylations with Fluorinated Gases Facilitated by a Robust Metal-Organic Framework
Identifying Dynamic Metal–Ligand Coordination Modes with Ensemble Learning
Knowledge of how a ligand coordinates a metal is essential for mechanistic and data-driven studies of transition metal complexes …
ChemRxiv
A noncanonical radical oxygenase mechanism enables the biosynthesis of widespread cardenolide toxins in plants
ChemRxiv
Confined Solvents Generate Unique Local Electric Fields at Lewis Acid Zeolite Active Sites
Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling
Diffusion-based deep generative models have emerged as powerful tools for inverse materials design. Yet, many existing approaches …
arXiv
Reimagining Polymer Networks from Molecule to Material