Your programme is made up of credits, the total differs on programme to programme.
| Semester 2 Credit Value: | 20 |
| ECTS Credits: | 10.0 |
| European Credit Transfer System | |
The purpose of this course is to equip students with solid foundations in structure-based drug design, providing them with an overview on modern methods in molecular simulations used in computational drug discovery.
Molecular mechanics, molecular dynamics (MD) simulations, multiscale and advanced molecular simulation methods in CADD
Fundamental concepts in molecular mechanics: force fields, molecular dynamics and applications. Enhanced sampling techniques and multiscale methods. Key concepts of quantum mechanics (QM). QM/MM simulations. Thermodynamics and free energy methods. Case studies in molecular simulations.
Molecular docking and structure-based design methods in CADD
Molecular docking and virtual screening. High-throughput virtual screening. Hit detection. Hit to lead. Lead optimisation. Fragment growth and scaffold-hopping. Binding site identification. Case studies in structure-guided drug design.
| Category | Activity | Number | Length | Student Hours | Comment |
|---|---|---|---|---|---|
| Guided Independent Study | Assessment preparation and completion | 1 | 2:00 | 2:00 | Final assessment |
| Scheduled Learning And Teaching Activities | Lecture | 18 | 1:00 | 18:00 | In-person lectures |
| Guided Independent Study | Assessment preparation and completion | 1 | 48:00 | 48:00 | Revision for final assessment |
| Guided Independent Study | Assessment preparation and completion | 1 | 8:00 | 8:00 | Dry Lab report |
| Guided Independent Study | Assessment preparation and completion | 1 | 42:00 | 42:00 | Revision for dry lab report |
| Scheduled Learning And Teaching Activities | Practical | 9 | 2:00 | 18:00 | Dry Labs |
| Scheduled Learning And Teaching Activities | Workshops | 2 | 2:00 | 4:00 | Workshops/Case Studies |
| Guided Independent Study | Independent study | 1 | 30:00 | 30:00 | Background reading and practice problem-solving questions |
| Guided Independent Study | Independent study | 1 | 30:00 | 30:00 | Skills practice |
| Total | 200:00 |
N/A
The format of resits will be determined by the Board of Examiners
| Description | Length | Semester | When Set | Percentage | Comment |
|---|---|---|---|---|---|
| Written Examination | 90 | 2 | A | 50 | Examination |
| Description | Semester | When Set | Percentage | Comment |
|---|---|---|---|---|
| Practical/lab report | 2 | M | 50 | Dry Lab Reports (practical skills) 1750words |
The examination/final assessment will test the student’s knowledge and understanding of the work content as well as the problem-solving skills. The assessment will test practical skills information literacy, and presentation skills.