Ligand-receptor interactions, contribution of the nitro group and MMPBSA energy for all compounds.
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https://figshare.com/articles/dataset/_Ligand_receptor_interactions_contribution_of_the_nitro_group_and_MMPBSA_energy_for_all_compounds_/343256
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HB denotes for hydrogen bond formation, VDW denotes for van der Waals interaction.1: Extracted from the electrostatic term of the force field.2: MMPBSA energy without computing the entropy contribution to binding.
创建时间：
2015-12-02
