Biomolecular Modelling: Principles, Practices, and Applications in Drug Design
This course offers an in-depth exploration of molecular modelling techniques and their applications in biochemistry, drug discovery, and design. Students will gain hands-on experience with computational methods for biomolecular structure analysis, molecular recognition, and therapeutic candidate design. Key topics include three-dimensional structure visualization, protein structure prediction, molecular dynamics simulations, and computer-aided drug design strategies, covering structure-based, ligand-based, and fragment-based approaches. Practical sessions and real-world case studies will complement theoretical concepts, highlighting their importance in biochemical and pharmaceutical research and development.
Recommended bibliography
- Structure-based Drug Discovery by Harren Jhoti and Andrew R Leach (eds.), Springer.
- In Silico Medicinal Chemistry: Computational Methods to Support Drug Design by Nathan Brown, RSC publications.
- Computational Drug Discovery and Design by Riccardo Baron.
Please remember that the Undergraduate Calendar is always the official source for all course descriptions.