The relative and absolute binding free energies obtained from the PMF calculations for the Kv1.x–ShK and Kv1.x–ShK[K18A] complexes.
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The relative binding energy, ΔWwell is given by the well depth in the PMF and the absolute binding free energy, Gb, is obtained from the integration of the PMF via eq. 2 (in units of kcal/mol). Experimental Gb is determined from the binding constants using eq. 2.
创建时间：
2013-11-07
