Zhi Yue, Ph.D.

2011-2012 Chemistry University of Oklahoma, Norman, OK, United States 
 2012-2017 Pharmaceutical Sciences University of Maryland School of Pharmacy 
 2018- Chemistry University of Chicago, Chicago, IL 
Theoretical Chemistry, Computational Biophysics
"Zhi Yue"

A CHARMM cat hunting protons.

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Li C, Yue Z, Espinoza-Fonseca LM, et al. (2020) Multiscale Simulation Reveals Passive Proton Transport Through SERCA on the Microsecond Timescale. Biophysical Journal
Tsai CC, Yue Z, Shen J. (2019) How Electrostatic Coupling Enables Conformational Plasticity in a Tyrosine Kinase. Journal of the American Chemical Society
Yue Z, Li C, Voth GA, et al. (2019) Dynamic Protonation Dramatically Affects the Membrane Permeability of Drug-like Molecules. Journal of the American Chemical Society
Liu R, Yue Z, Tsai CC, et al. (2019) Assessing Lysine and Cysteine Reactivities for Designing Targeted Covalent Kinase Inhibitors. Journal of the American Chemical Society
Huang Y, Yue Z, Tsai CC, et al. (2018) Predicting Catalytic Proton Donors and Nucleophiles in Enzymes: How Adding Dynamics Helps Elucidate the Structure-Function Relationships. The Journal of Physical Chemistry Letters
Yue Z, Shen J. (2018) pH-Dependent cooperativity and existence of a dry molten globule in the folding of a miniprotein BBL. Physical Chemistry Chemical Physics : Pccp
Yue Z, Chen W, Zgurskaya HI, et al. (2017) Constant pH Molecular Dynamics Reveals How Proton Release Drives the Conformational Transition of a Transmembrane Efflux Pump. Journal of Chemical Theory and Computation
Deredge DJ, Huang W, Hui C, et al. (2017) Ligand-induced allostery in the interaction of the Pseudomonas aeruginosa heme binding protein with heme oxygenase. Proceedings of the National Academy of Sciences of the United States of America
Zhu Y, Wu Z, Lu H, et al. (2015) High‐mechanical‐strength ferrohydrogels with a magnetically dispersed phase as multifunctional crosslinkers Journal of Applied Polymer Science. 132: 41950
Chen W, Wallace JA, Yue Z, et al. (2013) Introducing titratable water to all-atom molecular dynamics at constant pH. Biophysical Journal. 105: L15-7
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