autumn 2024
KJE-3106 Biomolecular modelling - 10 ECTS
Course content
Computer modeling and simulations have now become important tools to study complex systems in many areas of chemistry and biology. With todays high performance computers and advanced software it is possible to study the atomic level details of ribosomes and virus capsids, and to explore biological function with computational modeling. Computational modeling is frequently used to obtain novel insights into ligand binding and design, protein folding, enzyme catalysis and protein-membrane interactions. The course will introduce the basic concepts of computer modeling techniques with main focus on molecular interactions:
- Intermolecular forces
- Molecular mechanics
- Energy minimization
- Molecular dynamics simulations
- Monte Carlo simulations
- Solvation models
- Free energy calculations and ligand binding
- Enzyme catalysis
Objectives of the course
The student will have acquired a solid and broad theoretical basis to understand and carry out biomolecular modelling chemistry. This means that the student
Knowledge
- Understands the principles of biomolecular modelling
- Has knowledge of how to apply biomolecular modelling methods
- Understands the limitation of biomolecular modelling
Skills
- can discuss and evaluate theoretical predictions with experimental data
- can conduct independent modeling of binding affinities
- can make models of biological complexes
- can analyze the results from the biomolecular modelling data
Competence
- understands the relationship between molecular structure and function in biological systems
- can apply his/her knowledge and skills to solve relevant problems
- has knowledge to search the literature to present a chosen subject at the research front both written and orally
- can write concise reports
- can communicate both in writing and orally terms, theories and problems related to the methods
Information to incoming exchange students
This course is open for inbound exchange student who meets the admission requirements, including prerequisites. Please see the Admission requirements" and the "Prerequisite" sections for more information.
Do you have questions about this module? Please check the following website to contact the course coordinator for exchange students at the faculty: https://en.uit.no/education/art?p_document_id=510412
Examination
Examination: | Grade scale: |
---|---|
Oral exam | Passed / Not Passed |
Coursework requirements:To take an examination, the student must have passed the following coursework requirements: |
|
Approved practical exercises | Approved – not approved |
- About the course
- Campus: Tromsø |
- ECTS: 10
- Course code: KJE-3106
- Responsible unit
- Department of Chemistry
- Contact persons
-
Bjørn Olav Brandsdal
Professor, Theoretical and Computational Chemistry, Hylleraas Centre for Quantum Molecular Sciences
+4777644057
bjorn-olav.brandsdal@uit.no -
-
Renate Lie Larsen
Senior executive officer, student administration, purchaser, Department of Chemistry,
+4777644074
renate.larsen@uit.no
- Earlier years and semesters for this topic