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|
Area:Theoretical Chemistry, Computational Biophysics
A CHARMM cat hunting protons.
Mean distance: (not calculated yet)
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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|