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Journal of Chemical Theory and Computation|June 18, 2021
Reverse Protonation of Buried Ion-Pairs in Staphylococcal Nuclease MutantsJiahua Deng, Qiang Cui
Biophysical Journal|July 5, 2011
Glu-286 rotation and water wire reorientation are unlikely the gating elements for proton pumping in cytochrome C oxidaseShuo Yang, Qiang Cui
The Journal of Physical Chemistry. B|March 30, 2007
Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM frameworkYang Yang, Qiang Cui
Biophysical Journal|January 18, 2008
Does arginine remain protonated in the lipid membrane? Insights from microscopic pKa calculationsJejoong Yoo, Qiang Cui
The Journal of Physical Chemistry. A|May 18, 2007
pKa analysis for the zinc-bound water in human carbonic anhydrase II: Benchmark for "multiscale" QM/MM simulations and mechanistic implicationsDemian Riccardi, Qiang Cui
The Journal of Physical Chemistry. B|March 19, 2009
Does water relay play an important role in phosphoryl transfer reactions? Insights from theoretical study of a model reaction in water and tert-butanolYang Yang, Qiang Cui
Environmental Science & Technology|May 7, 2025
Alternative Energy Will Greatly Reduce the Impact of Aircraft Activities on Public Health in ChinaQiang Cui, Zike Jia
The Journal of Physical Chemistry Letters|July 15, 2024
Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium ChannelJiahua Deng, Qiang Cui
Biophysical Journal|September 7, 2010
Chemical versus mechanical perturbations on the protonation state of arginine in complex lipid membranes: insights from microscopic pKa calculationsJejoong Yoo, Qiang Cui
Journal of Chemical Theory and Computation|January 31, 2018
Multiple Pathways and Time Scales for Conformational Transitions in apo-Adenylate KinaseYuqing Zheng, Qiang Cui
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