Helena Qi
Affiliations: | 2014-2019 | Massachusetts Institute of Technology, Cambridge, MA, United States |
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| Vennelakanti V, Qi HW, Mehmood R, et al. (2020) When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins. Chemical Science. 12: 1147-1162 |
| Yang Z, Mehmood R, Wang M, et al. (2019) Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation. Reaction Chemistry & Engineering. 4: 298-315 |
| Qi HW, Kulik HJ. (2019) Reply to "Comment on 'Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis'". Journal of Chemical Information and Modeling |
| Qi HW, Kulik HJ. (2019) Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis. Journal of Chemical Information and Modeling |
| Park YG, Sohn CH, Chen R, et al. (2018) Protection of tissue physicochemical properties using polyfunctional crosslinkers. Nature Biotechnology |
| Mar BD, Qi HW, Liu F, et al. (2015) Ab Initio Screening Approach for the Discovery of Lignin Polymer Breaking Pathways. The Journal of Physical Chemistry. A. 119: 6551-62 |
| Qi HW, Nakka P, Chen C, et al. (2014) The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study. Plos One. 9: e98618 |