Binding free energy of complexes between HDAC2 and known HDAC2 inhibitors based on 100-ns MD simulations and MM-PBSA calculations.
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https://figshare.com/articles/dataset/Binding_free_energy_of_complexes_between_HDAC2_and_known_HDAC2_inhibitors_based_on_100-ns_MD_simulations_and_MM-PBSA_calculations_/20513078
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The entropic contributions were calculated using the quasi-harmonic (QH) approximation. All values are presented in kcal/mol.
创建时间：
2022-08-18
