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The absolute binding free energy (kcal·mol-1) calculated through MD simulations and thermodynamic integration for the dioxin-pCYP1A2 complexes.

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Figshare2022-05-26 更新2026-04-28 收录
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https://figshare.com/articles/dataset/The_absolute_binding_free_energy_kcal_mol_sup_-1_sup_calculated_through_MD_simulations_and_thermodynamic_integration_for_the_dioxin-pCYP1A2_complexes_/19894433
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The absolute binding free energy (kcal·mol-1) calculated through MD simulations and thermodynamic integration for the dioxin-pCYP1A2 complexes.
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2022-05-26
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