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HIV-1 protease WT with GS-8374
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2024-02-21
相关数据集
crystal structure of HIV-1 protease-hup
crystal structure of HIV-1 protease-hup Descriptor: (3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-
Protein Data Bank Japan2024-02-14 更新50
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
Comparison of drug-target interactions predictions from experiments and those from experiments and text mining in STITCH.
AUC values for predicting drug-target interactions are shown to compare two cases of using experimentally validated interactions and by using all interactions including experiments, text mining, and o
Figshare2015-12-02 更新20
Crystal structure of HIV-1 protease with GS-9770
Crystal structure of HIV-1 protease with GS-9770 Descriptor: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-im
Protein Data Bank Japan2024-04-17 更新40
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
