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.

药物-靶点相互作用

预测模型性能评估

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.

药物-靶点相互作用

分子对接残基分析

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.

分子对接

药物-靶点相互作用

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