1. Introduction to Ligand-Based Modeling
2. Docking
- Docking methods
- Scoring results
- Analysis, refinement, and filtering tools
3. QSAR
- Preparing data for QSAR analysis
- Working with descriptors
- Regression techniques
- Modern methods
4. Fragment-Based Drug Design
- Working with fragments and proteins
- Preparation (Retrosynthetic Combinatorial Analysis Procedure (ReCAP) approach)
- Analysis
- Fragment-based drug design modes: REPLACE, GROW, PLACE
5. Hands-on實機操作教學
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