Free energy decomposition of the absolute binding free energy (kcal/mol).
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https://figshare.com/articles/dataset/_Free_energy_decomposition_of_the_absolute_binding_free_energy_kcal_mol_/1108965
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资源简介：
athe deviations were estimated based on the last 4 ns US simulation of each window.
bthe deviations were estimated based on the minimized pathway of metadynamics from 15 to 22 Å.
cthe experimental binding free energy was estimated by ΔGexp = −RTlnKKd at 310 K.
创建时间：
2014-07-17
