RMSDs of the lowest-energy representative poses of type-II inhibitors with respect to those in the crystal structures using DFG-out models and crystal structures, respectively.
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https://figshare.com/articles/dataset/_RMSDs_of_the_lowest_energy_representative_poses_of_type_II_inhibitors_with_respect_to_those_in_the_crystal_structures_using_DFG_out_models_and_crystal_structures_respectively_/422793
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aThe lowest-energy poses possess an opposite orientation with respect to those in the crystal structures, and therefore have large RMSDs.bThe minimum RMSDs of binding poses other than the lowest-energy poses.
创建时间：
2015-12-02
