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Journal of the American Chemical Society|August 20, 2016
Substrate and Transition State Binding in Alkaline Phosphatase Analyzed by Computation of Oxygen Isotope EffectsDaniel Roston, Qiang CuiJournal of the American Chemical Society|July 28, 2007
Activation mechanism of a signaling protein at atomic resolution from advanced computationsLiang Ma, Qiang CuiJournal of Molecular Graphics & Modelling|July 12, 2005
Direct determination of reaction paths and stationary points on potential of mean force surfacesGuohui Li, Qiang CuiBiochemistry|November 30, 2006
The temperature dependence of salt-protein association is sequence specificLiang Ma, Qiang CuiThe Journal of Chemical Physics|December 25, 2007
The vibrational spectra of protonated water clusters: a benchmark for self-consistent-charge density-functional tight bindingHaibo Yu, Qiang CuiJournal of the American Chemical Society|November 3, 2022
How to Stabilize Carbenes in Enzyme Active Sites without Metal IonsRui Lai, Qiang CuiThe Journal of Physical Chemistry Letters|May 9, 2023
Coacervation-Induced Remodeling of NanovesiclesSayantan Mondal, Qiang CuiJournal of the American Chemical Society|May 12, 2023
Second-Shell Residues Contribute to Catalysis by Predominately Preorganizing the Apo State in PafAJiahua Deng, Qiang CuiJournal of Chemical Theory and Computation|February 28, 2024
Efficient Sampling of Cavity Hydration in Proteins with Nonequilibrium Grand Canonical Monte Carlo and Polarizable Force FieldsJiahua Deng, Qiang CuiChemical Science|July 22, 2022
Coacervation of poly-electrolytes in the presence of lipid bilayers: mutual alteration of structure and morphologySayantan Mondal, Qiang CuiPageof 55