spring 2020
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 candidate 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
- About the course
- Campus: Tromsø |
- ECTS: 10
- Course code: KJE-3106
- Responsible unit
- Institutt for kjemi
- Kontaktpersoner
-
Renate Lie Larsen
Seniorkonsulent, studieadministrasjon, Innkjøper Institutt for kjemi,
+4777644074
renate.larsen@uit.no -
Bjørn Olav Brandsdal
Professor, Teoretisk og beregningsbasert kjemi, Hylleraas-senteret
+4777644057
bjorn-olav.brandsdal@uit.no
- Tidligere år og semester for dette emnet