Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening. [electronic resource]
Producer: 20191126Description: 347-361 p. digitalISSN:- 1573-4951
- Amino Acid Sequence
- Amino Acids -- chemistry
- Bayes Theorem
- Drug Discovery -- methods
- Ligands
- Machine Learning
- Molecular Dynamics Simulation
- Molecular Structure
- Phosphoinositide-3 Kinase Inhibitors
- Protein Binding
- Protein Kinase Inhibitors -- chemistry
- Quantitative Structure-Activity Relationship
- Software
- Thermodynamics
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Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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