Calculated and experimental ZM241385 relative binding free energies for A2AAR mutants.
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aExperimental relative binding free energies () calculated from Ki values as .bNB = non-detectable radioligand binding. The value corresponding to the experimental detection threshold is indicated within parentheses.cA Simulation sphere of 34 Å radius was used, since the mutated position is outside the boundaries of the default 25 Å sphere.dExperimental data is only available for the antagonists XAC and CGS15943.Calculated and experimental ZM241385 relative binding free energies for A2AAR mutants.
创建时间：
2015-12-02
