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Sample Drug-Target interaction
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创建时间：
2021-05-09
相关数据集
MOESM1 of Old drug repositioning and new drug discovery through similarity learning from drug-target joint feature spaces
Additional file 1 Unobserved drug-target pairs with their inference scores (ranked in the ascending order).
Figshare2024-02-28 更新60
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide Descriptor: 2-[(4-fluorophenyl)sulfonyl-(2-
Protein Data Bank Japan2023-12-27 更新40
The fractions of true DTIs among the predicted top N (N = 10, 30, 50) interactions under CVS1.
The fractions of true DTIs among the predicted top N (N = 10, 30, 50) interactions under CVS1.
Figshare2016-02-17 更新20
Contact residues for the eight selected small molecules. All residues contain are within 4 Å of a ligand atom. Residues in bold are common to all six ligands.
Contact residues for the eight selected small molecules. All residues contain are within 4 Å of a ligand atom. Residues in bold are common to all six ligands.
Figshare2015-12-02 更新50
MM-GBSA binding energy calculation of bonded and non-bonded interactions of CID_5280445 with 1z8r after every 10 ns from MD Simulation trajectories.
MM-GBSA binding energy calculation of bonded and non-bonded interactions of CID_5280445 with 1z8r after every 10 ns from MD Simulation trajectories.
Figshare2023-08-30 更新20
