Helena W. Qi

Publications

1. When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins (2021)
2. Reply to “Comment on ‘Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis’” (2019)
3. The Protein’s Role in Substrate Positioning and Reactivity for Biosynthetic Enzyme Complexes: The Case of SyrB2/SyrB1 (2019)
4. Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis (2019)
5. Protection of tissue physicochemical properties using polyfunctional crosslinkers (2019)
6. Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation (2019)
7. Quantifying Electronic Effects in QM and QM/MM Biomolecular Modeling with the Fukui Function (2017)
8. Ab Initio Screening Approach for the Discovery of Lignin Polymer Breaking Pathways (2015)