1
Introduction to Drug Discovery Process
1 Hour
2
Role of Computational Methods
1 Hour
3
Hands-on: Chemical Structure Visualization
1 Hour
4
Biomolecules and Their Properties
1 Hour
5
Structure of Proteins and Ligands
1 Hour
6
Hands-on: Protein Structure Visualization
1 Hour
7
Molecular Visualization Tools
1 Hour
8
Molecular Mechanics and Dynamics Simulations
1 Hour
9
Molecular Mechanics and Dynamics Simulations (continued)
1 Hour
10
Chemical Databases and Data Mining
1 Hour
11
Ligand and Structure-Based Virtual Screening
1 Hour
12
Hands-on: Chemical Data Exploration
1 Hour
13
Advanced Virtual Screening Techniques
1 Hour
14
Virtual Screening using Autodock Vina
1 Hour
15
Principles of Molecular Docking
1 Hour
16
Scoring Functions in Docking
1 Hour
17
ands-on: Molecular Docking
1 Hour
18
Introduction to Molecular Dynamics
1 Hour
19
Simulation Software (e.g., GROMACS)
1 Hour
20
Hands-on: Analyzing MD Data
1 Hour
21
Chemoinformatics: Data Analysis and Visualization
1 Hour
22
Protein-Ligand Interaction Analysis
1 Hour
23
Hands-on Protein-Ligand Interaction Analysis
1 Hour
24
Pharmacophore Modeling and Applications
1 Hour
25
Chemoinformatics: Data Analysis and Visualization (continued)
1 Hour
26
Structure-Based Drug Design
1 Hour
27
Ligand-Based Drug Design
1 Hour
28
Hands-on Structure-Based and Ligand-Based Drug Design
1 Hour
29
ADMET in Drug Development
1 Hour
30
Course Conclusion
1 Hour
