Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques. [electronic resource]
Producer: 20200403ISSN:- 1420-3049
- Binding Sites
- Drug Discovery -- methods
- Hydrogen Bonding
- Kelch-Like ECH-Associated Protein 1 -- chemistry
- Ligands
- Molecular Docking Simulation
- Molecular Dynamics Simulation
- Molecular Structure
- NF-E2-Related Factor 2 -- chemistry
- Protein Binding -- drug effects
- Quantitative Structure-Activity Relationship
- Structure-Activity Relationship
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Publication Type: Journal Article
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