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Molecular docking between echinatin with Keap1 and TAK1.

NIAID Data Ecosystem2026-05-02 收录

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靶点结合模拟

数据链接：

https://figshare.com/articles/dataset/Molecular_docking_between_echinatin_with_Keap1_and_TAK1_/25841939 数据链接链接失效反馈

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资源简介：

Molecular docking between echinatin with Keap1 and TAK1.

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创建时间：

2024-05-16

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Docking scores and energy minimization of target proteins.

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Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.

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Quantum mechanical, virtual screening, molecular docking, molecular dynamics, ADME and antimicrobial activity studies of some new indole-hydrazone derivatives as potent agents against E. faecalis

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In this study, a new series of indole-5-carbaldehyde hydrazone derivative compounds were designed, synthesized, and their antimicrobial activities were determined by the microdilution method, and the

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Best docking scores among the different LeuRS domains.

蛋白质结构域对接

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Best docking scores among the different LeuRS domains.

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Docking data for NTRK1 (TrkA) wildtype and mutants

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