6 points, SCA Band 2, 0.125 EFTSL
Undergraduate - Unit
Refer to the specific census and withdrawal dates for the semester(s) in which this unit is offered.
- Second semester 2019 (On-campus)
PSC2142 Computational Chemistry
The unit will cover a number of important topics in the area of computational drug design
- Structure-based drug design (SBDD): docking, conformational and orientational searching (posing) and scoring methods; applications of SBDD in virtual screening and de novo drug design
- Molecular databases: Representations of molecular data, molecular and biological databases.
- Molecular properties: Prediction of molecular properties, molecular similarity.
- Computational lead optimisation: pharmacophores, molecular interaction fields, experimental design, compound selection, factorial design, Craig plots.
- An introduction to bioinformatics and its application to drug development
- Protein structure: protein homology and homology modelling
During the course of this unit, students will learn about a number of advanced computational technologies specifically implemented in the pharmaceutical sciences.
Students will be expected to:
- Understand selected concepts and techniques underpinning computational drug design
- Be able to apply knowledge of these techniques in predicting and evaluating drug-target interactions
- Develop their ability to engage with the current literature and critically interpret research publications
End of semester written exam - 60%; Laboratory component and computational drug design assignment - 40%
Contact hours for on-campus students:
- eighteen 1-hour lectures (12 face-to-face lectures plus 6 hours active learning
- five 2 hour workshops
- five 3-hour computer laboratories
See also Unit timetable information