Protein-ligand interaction energies (PLIE) and model-to-map CCs for the best Chai-I prediction (Pred.), final complex from flexible fitting (Fitted) and ground truth based on the deposited experimental structure (GT) for each test system. PLIE values are scaled by number of ligand heavy atoms.
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https://figshare.com/articles/dataset/Protein-ligand_interaction_energies_PLIE_and_model-to-map_CCs_for_the_best_Chai-I_prediction_Pred_final_complex_from_flexible_fitting_Fitted_and_ground_truth_based_on_the_deposited_experimental_structure_GT_for_each_test_system_PLIE_values_/29884848
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资源简介：
Protein-ligand interaction energies (PLIE) and model-to-map CCs for the best Chai-I prediction (Pred.), final complex from flexible fitting (Fitted) and ground truth based on the deposited experimental structure (GT) for each test system. PLIE values are scaled by number of ligand heavy atoms.
创建时间：
2025-08-11
