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Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations

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Figshare2019-10-04 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Molecular_docking_and_molecular_dynamics_simulation_studies_to_identify_potent_AURKA_inhibitors_Assessing_the_performance_of_density_functional_theory_MM-GBSA_and_mass_action_kinetics_calculations/9938279
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Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations
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2019-10-04
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