Zhongyue Yang

Publications

1. Mechanistic Studies of a Skatole-Forming Glycyl Radical Enzyme Suggest Reaction Initiation via Hydrogen Atom Transfer (2022)
2. Computational Modeling of Conformer Stability in Benenodin-1, a Thermally Actuated Lasso Peptide Switch (2022)
3. Irreversible synthesis of an ultrastrong two-dimensional polymeric material (2022)
4. Protein Dynamics and Substrate Protonation State Mediate the Catalytic Action of Trans-4-Hydroxy-L-Proline Dehydratase (2021)
5. Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase (2021)
6. Quantifying the Long-Range Coupling of Electronic Properties in Proteins with Ab Initio Molecular Dynamics (2021)
7. Ionization behavior of nanoporous polyamide membranes (2020)
8. Quantum Mechanical Description of Electrostatics Provides a Unified Picture of Catalytic Action Across Methyltransferases (2019)
9. Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation (2019)