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AutoDock binding energy values and H-bond forming residues of the lead molecules.

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NIAID Data Ecosystem2026-03-08 收录
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https://figshare.com/articles/dataset/_AutoDock_binding_energy_values_and_H_bond_forming_residues_of_the_lead_molecules_/954346
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资源简介:
Docking prediction of high scoring poses of different COX inhibitors and their corresponding binding energy values was compared with the binding free energy of amarogentin. Subsequently, the H-bonding residues were also analysed for the stability of the docking poses.
创建时间:
2014-03-06
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