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A kinetic model of the effect of agonist and anesthetics on ligand-gated ion channels, developed in earlier work, is further refined and used to predict traces observed in fast-perfusion electrophysiological studies on recombinant GABAA receptors under a wide range of agonist and/or anesthetic concentrations. The model incorporates only three conformational states (resting, open, and desensitized)...
Lys-66 and Glu-66, buried in the hydrophobic interior of staphylococcal nuclease by mutagenesis, titrate with pKa values of 5.7 and 8.8, respectively (Dwyer et al., 2000, Biophys. J. 79:1610–1620; García-Moreno E. et al., 1997, Biophys. Chem. 64:211–224). Continuum calculations with static structures reproduced the pKa values when the protein interior was treated with a dielectric constant (ϵin) of...
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